N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine

C12H22N4 — CID 70919577

IUPACN-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine
SMILESCCCc1nc(NCC2CCCCC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-2-6-11-14-12(16-15-11)13-9-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H2,13,14,15,16)
InChIKeyPZNXMSDNXJOBAF-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.75
Rot. Bonds5

About N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine

N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine (PubChem CID 70919577) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine
PubChem CID70919577
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine
SMILESCCCc1nc(NCC2CCCCC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-2-6-11-14-12(16-15-11)13-9-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H2,13,14,15,16)
InChIKeyPZNXMSDNXJOBAF-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine (CID 70919577) is N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine is CCCc1nc(NCC2CCCCC2)n[nH]1.
What is the InChIKey of N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine?
The InChIKey is PZNXMSDNXJOBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-2-6-11-14-12(16-15-11)13-9-10-7-4-3-5-8-10/h10H,2-9H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine?
N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine has a molecular weight of 222.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-propyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 70919577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).