3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one

C8H14N4O — CID 137012538

IUPAC3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCC1(c2n[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C8H14N4O/c9-5-8(3-1-2-4-8)6-10-7(13)12-11-6/h1-5,9H2,(H2,10,11,12,13)
InChIKeyQCSNFWFZRTZFAJ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.13
Rot. Bonds2

About 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137012538) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137012538
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESNCC1(c2n[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C8H14N4O/c9-5-8(3-1-2-4-8)6-10-7(13)12-11-6/h1-5,9H2,(H2,10,11,12,13)
InChIKeyQCSNFWFZRTZFAJ-UHFFFAOYSA-N
XLogP-0.13
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Methylhexan-3-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 143451072
3-[3-(2-Aminoethyl)-4,4-dimethylpentyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136011122
3-(3-Ethylpyrrolidin-3-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136190974
3-(3-Propylpyrrolidin-3-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136190975
3-[2-(Aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136234718
3-(5-Amino-3,3-dimethylpentyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136254346
3-(2-Aminocyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136260562
3-[[1-(Aminomethyl)cyclobutyl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136293070
3-[[1-(Aminomethyl)cyclopentyl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136314572
3-(2-Amino-1-methylcyclopentyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136329836
3-(1-Amino-4,4-dimethylpentan-2-yl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136857998
3-(2-Amino-4,4-dimethylpentyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136952845

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137012538) is 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one is NCC1(c2n[nH]c(=O)[nH]2)CCCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is QCSNFWFZRTZFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-5-8(3-1-2-4-8)6-10-7(13)12-11-6/h1-5,9H2,(H2,10,11,12,13).
What are the key properties of 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 182.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclopentyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137012538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).