3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine

C10H12N8 — CID 729477

IUPAC3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine
SMILESNn1c(Cn2ccnc2)nnc1Cn1ccnc1
InChIInChI=1S/C10H12N8/c11-18-9(5-16-3-1-12-7-16)14-15-10(18)6-17-4-2-13-8-17/h1-4,7-8H,5-6,11H2
InChIKeyMHLOVJAHALILDE-UHFFFAOYSA-N
MW244.26 g/mol
LogP-0.52
Rot. Bonds4

About 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine

3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine (PubChem CID 729477) has the molecular formula C10H12N8 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine
PubChem CID729477
Molecular FormulaC10H12N8
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine
SMILESNn1c(Cn2ccnc2)nnc1Cn1ccnc1
InChIInChI=1S/C10H12N8/c11-18-9(5-16-3-1-12-7-16)14-15-10(18)6-17-4-2-13-8-17/h1-4,7-8H,5-6,11H2
InChIKeyMHLOVJAHALILDE-UHFFFAOYSA-N
XLogP-0.52
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine (CID 729477) is 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine is Nn1c(Cn2ccnc2)nnc1Cn1ccnc1.
What is the InChIKey of 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine?
The InChIKey is MHLOVJAHALILDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8/c11-18-9(5-16-3-1-12-7-16)14-15-10(18)6-17-4-2-13-8-17/h1-4,7-8H,5-6,11H2.
What are the key properties of 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine?
3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine has a molecular weight of 244.26 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(imidazol-1-ylmethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 729477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).