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

C12H22N4 — CID 116538769

IUPAC3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCCn1ncnc1CC1(C)CCC(N)C1
InChIInChI=1S/C12H22N4/c1-3-6-16-11(14-9-15-16)8-12(2)5-4-10(13)7-12/h9-10H,3-8,13H2,1-2H3
InChIKeyAHQOJQOYZMDWQD-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.75
Rot. Bonds4

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

3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 116538769) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID116538769
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCCn1ncnc1CC1(C)CCC(N)C1
InChIInChI=1S/C12H22N4/c1-3-6-16-11(14-9-15-16)8-12(2)5-4-10(13)7-12/h9-10H,3-8,13H2,1-2H3
InChIKeyAHQOJQOYZMDWQD-UHFFFAOYSA-N
XLogP1.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 116538769) is 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is CCCn1ncnc1CC1(C)CCC(N)C1.
What is the InChIKey of 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is AHQOJQOYZMDWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-6-16-11(14-9-15-16)8-12(2)5-4-10(13)7-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 116538769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).