1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

C9H16N4 — CID 64670724

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1cnnc1CC1(N)CCCC1
InChIInChI=1S/C9H16N4/c1-13-7-11-12-8(13)6-9(10)4-2-3-5-9/h7H,2-6,10H2,1H3
InChIKeyXPLMFUAMGVUHCT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.63
Rot. Bonds2

About 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 64670724) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID64670724
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1cnnc1CC1(N)CCCC1
InChIInChI=1S/C9H16N4/c1-13-7-11-12-8(13)6-9(10)4-2-3-5-9/h7H,2-6,10H2,1H3
InChIKeyXPLMFUAMGVUHCT-UHFFFAOYSA-N
XLogP0.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 64672298
1-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64672496
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987230
(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 55202674
1-carbamothioyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxamide
CID 62116987
1-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 62119059
1-(N'-hydroxycarbamimidoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 76936040
1-[(2-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 126984507
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 82597229
[3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate
CID 155190714

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 64670724) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is Cn1cnnc1CC1(N)CCCC1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is XPLMFUAMGVUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-13-7-11-12-8(13)6-9(10)4-2-3-5-9/h7H,2-6,10H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64670724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).