3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol

C12H22N4O3 — CID 162793126

IUPAC3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
SMILESCOCc1cn(CC2CC(N(C)C)C(O)C2O)nn1
InChIInChI=1S/C12H22N4O3/c1-15(2)10-4-8(11(17)12(10)18)5-16-6-9(7-19-3)13-14-16/h6,8,10-12,17-18H,4-5,7H2,1-3H3
InChIKeyKEPWGGMOGGACLZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.90
Rot. Bonds5

About 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol

3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol (PubChem CID 162793126) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
PubChem CID162793126
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
SMILESCOCc1cn(CC2CC(N(C)C)C(O)C2O)nn1
InChIInChI=1S/C12H22N4O3/c1-15(2)10-4-8(11(17)12(10)18)5-16-6-9(7-19-3)13-14-16/h6,8,10-12,17-18H,4-5,7H2,1-3H3
InChIKeyKEPWGGMOGGACLZ-UHFFFAOYSA-N
XLogP-0.90
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
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
1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentyl]-3-propylurea;hydrochloride
CID 146117845
3-(1,3-benzodioxol-4-ylmethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol
CID 162793173
1-[[3-(cyclopentylmethyl)cyclopentyl]methyl]-4-(methoxymethyl)triazole
CID 123822821
4-(methoxymethyl)-N,N-dimethyltriazol-1-amine
CID 166858592
1-[(1R,2S,3R,4R)-4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]-3-phenylurea;hydrochloride
CID 146117889
6-[[4-(methoxymethyl)triazol-1-yl]methyl]-N-methyl-N-prop-2-enyl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 73148546
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
[(3R,4S,6R)-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octan-3-yl]-pyrrolidin-1-ylmethanone
CID 11943160
(3R,4R,6R)-N-cyclopropyl-6-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide
CID 11942230
4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 29001075
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]-2,3-dihydroxycyclopentyl]urea
CID 163084128

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol?
The IUPAC name of 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol (CID 162793126) is 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol.
What is the SMILES notation for 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol?
The canonical SMILES for 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol is COCc1cn(CC2CC(N(C)C)C(O)C2O)nn1.
What is the InChIKey of 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol?
The InChIKey is KEPWGGMOGGACLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-15(2)10-4-8(11(17)12(10)18)5-16-6-9(7-19-3)13-14-16/h6,8,10-12,17-18H,4-5,7H2,1-3H3.
What are the key properties of 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol?
3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol has a molecular weight of 270.33 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-[[4-(methoxymethyl)triazol-1-yl]methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 162793126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).