2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine

C12H24N6 — CID 114222622

IUPAC2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2cnnn2C)CC1
InChIInChI=1S/C12H24N6/c1-3-4-11(9-13)17-5-7-18(8-6-17)12-10-14-15-16(12)2/h10-11H,3-9,13H2,1-2H3
InChIKeyGKVVMAPGQBVPRV-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.06
Rot. Bonds5

About 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine

2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine (PubChem CID 114222622) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine
PubChem CID114222622
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine
SMILESCCCC(CN)N1CCN(c2cnnn2C)CC1
InChIInChI=1S/C12H24N6/c1-3-4-11(9-13)17-5-7-18(8-6-17)12-10-14-15-16(12)2/h10-11H,3-9,13H2,1-2H3
InChIKeyGKVVMAPGQBVPRV-UHFFFAOYSA-N
XLogP0.06
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine (CID 114222622) is 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine is CCCC(CN)N1CCN(c2cnnn2C)CC1.
What is the InChIKey of 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine?
The InChIKey is GKVVMAPGQBVPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-3-4-11(9-13)17-5-7-18(8-6-17)12-10-14-15-16(12)2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine?
2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine has a molecular weight of 252.37 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyltriazol-4-yl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 114222622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).