1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride

C14H26ClN5O4 — CID 146117845

IUPAC1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride
SMILESCCCNC(=O)N[C@@H]1C[C@H](Cn2cc(COC)nn2)[C@@H](O)[C@H]1O.Cl
InChIInChI=1S/C14H25N5O4.ClH/c1-3-4-15-14(22)16-11-5-9(12(20)13(11)21)6-19-7-10(8-23-2)17-18-19;/h7,9,11-13,20-21H,3-6,8H2,1-2H3,(H2,15,16,22);1H/t9-,11-,12-,13+;/m1./s1
InChIKeyVJCSNLJIMUFUDX-GFDNLJASSA-N
MW363.85 g/mol
LogP-0.33
Rot. Bonds7

About 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride

1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride (PubChem CID 146117845) has the molecular formula C14H26ClN5O4 and a molecular weight of 363.85 g/mol. Its IUPAC name is 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride.

Molecular Properties

Compound Name1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride
PubChem CID146117845
Molecular FormulaC14H26ClN5O4
Molecular Weight363.85 g/mol
Exact Mass363.17
IUPAC Name1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride
SMILESCCCNC(=O)N[C@@H]1C[C@H](Cn2cc(COC)nn2)[C@@H](O)[C@H]1O.Cl
InChIInChI=1S/C14H25N5O4.ClH/c1-3-4-15-14(22)16-11-5-9(12(20)13(11)21)6-19-7-10(8-23-2)17-18-19;/h7,9,11-13,20-21H,3-6,8H2,1-2H3,(H2,15,16,22);1H/t9-,11-,12-,13+;/m1./s1
InChIKeyVJCSNLJIMUFUDX-GFDNLJASSA-N
XLogP-0.33
TPSA121.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]methanesulfonamide
CID 75529382
3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
CID 162793126
1-[(1R,2S,3R,4R)-4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-3-phenylurea;hydrochloride
CID 146117889
3-(1,3-benzodioxol-4-ylmethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
CID 162793173
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]urea
CID 163084128
1-[(1R,2S,3R,4R)-4-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-3-phenylurea;trihydrochloride
CID 146117842
1-[(1R,2S,3R,4R)-4-[(4-cyclopropyltriazol-1-yl)methyl]-2,3-dihydroxycyclopentyl]-3-phenylurea
CID 75529455
N-[(1R,2S,3R,4R)-4-[[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]pyrimidine-5-carboxamide;trihydrochloride
CID 146117766
N-[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-1,3-benzothiazole-2-carboxamide
CID 162855613
(3R,4R,6R)-N-cyclopropyl-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide
CID 11942230
ethane;N-[2-[4-(methoxymethyl)triazol-1-yl]ethyl]-2-methylsulfanylacetamide;pentane
CID 144515294
N-[(1R,2S,3R,4R)-4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 75529590

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride?
The IUPAC name of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride (CID 146117845) is 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride.
What is the SMILES notation for 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride?
The canonical SMILES for 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride is CCCNC(=O)N[C@@H]1C[C@H](Cn2cc(COC)nn2)[C@@H](O)[C@H]1O.Cl.
What is the InChIKey of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride?
The InChIKey is VJCSNLJIMUFUDX-GFDNLJASSA-N. The full InChI is InChI=1S/C14H25N5O4.ClH/c1-3-4-15-14(22)16-11-5-9(12(20)13(11)21)6-19-7-10(8-23-2)17-18-19;/h7,9,11-13,20-21H,3-6,8H2,1-2H3,(H2,15,16,22);1H/t9-,11-,12-,13+;/m1./s1.
What are the key properties of 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride?
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of -0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride is sourced from PubChem (CID 146117845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).