5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine

C9H17N5 — CID 79531743

IUPAC5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine
SMILESNCC1CCC(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H17N5/c10-5-6-1-3-7(4-2-6)8-12-9(11)14-13-8/h6-7H,1-5,10H2,(H3,11,12,13,14)
InChIKeyKEOVIISYTFCWBG-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.62
Rot. Bonds2

About 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine

5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine (PubChem CID 79531743) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine
PubChem CID79531743
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine
SMILESNCC1CCC(c2nc(N)n[nH]2)CC1
InChIInChI=1S/C9H17N5/c10-5-6-1-3-7(4-2-6)8-12-9(11)14-13-8/h6-7H,1-5,10H2,(H3,11,12,13,14)
InChIKeyKEOVIISYTFCWBG-UHFFFAOYSA-N
XLogP0.62
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine (CID 79531743) is 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine is NCC1CCC(c2nc(N)n[nH]2)CC1.
What is the InChIKey of 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is KEOVIISYTFCWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-5-6-1-3-7(4-2-6)8-12-9(11)14-13-8/h6-7H,1-5,10H2,(H3,11,12,13,14).
What are the key properties of 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine?
5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 79531743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).