N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine

C12H22N4O — CID 50981187

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine
SMILESCOCCn1cnnc1C(C)NC1CCCC1
InChIInChI=1S/C12H22N4O/c1-10(14-11-5-3-4-6-11)12-15-13-9-16(12)7-8-17-2/h9-11,14H,3-8H2,1-2H3
InChIKeyRVOZYHIXZKRGCH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.52
Rot. Bonds6

About N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine (PubChem CID 50981187) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine
PubChem CID50981187
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine
SMILESCOCCn1cnnc1C(C)NC1CCCC1
InChIInChI=1S/C12H22N4O/c1-10(14-11-5-3-4-6-11)12-15-13-9-16(12)7-8-17-2/h9-11,14H,3-8H2,1-2H3
InChIKeyRVOZYHIXZKRGCH-UHFFFAOYSA-N
XLogP1.52
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640
3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749
3-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole
CID 124751746
2-[cyclopentyl(methyl)amino]-N-[(1S)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 129608788
(1S)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 164634458
1-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 62117713
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62119200

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine (CID 50981187) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine is COCCn1cnnc1C(C)NC1CCCC1.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine?
The InChIKey is RVOZYHIXZKRGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(14-11-5-3-4-6-11)12-15-13-9-16(12)7-8-17-2/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine?
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine has a molecular weight of 238.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]cyclopentanamine is sourced from PubChem (CID 50981187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).