N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine

C12H24N4 — CID 115728935

IUPACN-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine
SMILESCCCC(CCC)NC(C)Cn1cnnc1
InChIInChI=1S/C12H24N4/c1-4-6-12(7-5-2)15-11(3)8-16-9-13-14-10-16/h9-12,15H,4-8H2,1-3H3
InChIKeyUQHFDBZIMBYLFU-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.22
Rot. Bonds8

About N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine

N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine (PubChem CID 115728935) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine.

Molecular Properties

Compound NameN-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine
PubChem CID115728935
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine
SMILESCCCC(CCC)NC(C)Cn1cnnc1
InChIInChI=1S/C12H24N4/c1-4-6-12(7-5-2)15-11(3)8-16-9-13-14-10-16/h9-12,15H,4-8H2,1-3H3
InChIKeyUQHFDBZIMBYLFU-UHFFFAOYSA-N
XLogP2.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine?
The IUPAC name of N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine (CID 115728935) is N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine.
What is the SMILES notation for N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine?
The canonical SMILES for N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine is CCCC(CCC)NC(C)Cn1cnnc1.
What is the InChIKey of N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine?
The InChIKey is UQHFDBZIMBYLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-12(7-5-2)15-11(3)8-16-9-13-14-10-16/h9-12,15H,4-8H2,1-3H3.
What are the key properties of N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine?
N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine has a molecular weight of 224.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,4-triazol-4-yl)propan-2-yl]heptan-4-amine is sourced from PubChem (CID 115728935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).