N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine

C9H17N5 — CID 164657538

IUPACN-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine
SMILESCn1nncc1NCC1(N)CCCC1
InChIInChI=1S/C9H17N5/c1-14-8(6-12-13-14)11-7-9(10)4-2-3-5-9/h6,11H,2-5,7,10H2,1H3
InChIKeyFIGANIPZBHUYRZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.50
Rot. Bonds3

About N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine

N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine (PubChem CID 164657538) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine.

Molecular Properties

Compound NameN-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine
PubChem CID164657538
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine
SMILESCn1nncc1NCC1(N)CCCC1
InChIInChI=1S/C9H17N5/c1-14-8(6-12-13-14)11-7-9(10)4-2-3-5-9/h6,11H,2-5,7,10H2,1H3
InChIKeyFIGANIPZBHUYRZ-UHFFFAOYSA-N
XLogP0.50
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-aminocycloheptyl)methyl]-3-methyltriazole-4-sulfonamide
CID 120875661
N-ethyl-3-methyltriazol-4-amine
CID 130486129
2-N,2-N,2-trimethyl-1-N-(3-methyltriazol-4-yl)propane-1,2-diamine
CID 130486243
(3-methyltriazol-4-yl)hydrazine;dihydrochloride
CID 119056891
N-[(1-aminocyclohexyl)methyl]aniline
CID 25079286
3-[(3-methyltriazol-4-yl)amino]propanamide
CID 130486194
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine
CID 114222552
N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 103753099
2-methyl-2-[(3-methyltriazol-4-yl)amino]propane-1,3-diol
CID 130486345
5-[(1-aminocyclobutyl)methylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 103353859
3-methyl-N-[(2-methyloxolan-3-yl)methyl]triazol-4-amine
CID 130486482
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 115682190

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine?
The IUPAC name of N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine (CID 164657538) is N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine.
What is the SMILES notation for N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine?
The canonical SMILES for N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine is Cn1nncc1NCC1(N)CCCC1.
What is the InChIKey of N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine?
The InChIKey is FIGANIPZBHUYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-14-8(6-12-13-14)11-7-9(10)4-2-3-5-9/h6,11H,2-5,7,10H2,1H3.
What are the key properties of N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine?
N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclopentyl)methyl]-3-methyltriazol-4-amine is sourced from PubChem (CID 164657538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).