1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine

C9H12N10 — CID 66747547

IUPAC1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine
SMILESc1n[nH]nc1CN(Cc1cn[nH]n1)Cc1cn[nH]n1
InChIInChI=1S/C9H12N10/c1-7(13-16-10-1)4-19(5-8-2-11-17-14-8)6-9-3-12-18-15-9/h1-3H,4-6H2,(H,10,13,16)(H,11,14,17)(H,12,15,18)
InChIKeyHYKCGNHOSRPGCP-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.76
Rot. Bonds6

About 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine

1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine (PubChem CID 66747547) has the molecular formula C9H12N10 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine
PubChem CID66747547
Molecular FormulaC9H12N10
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine
SMILESc1n[nH]nc1CN(Cc1cn[nH]n1)Cc1cn[nH]n1
InChIInChI=1S/C9H12N10/c1-7(13-16-10-1)4-19(5-8-2-11-17-14-8)6-9-3-12-18-15-9/h1-3H,4-6H2,(H,10,13,16)(H,11,14,17)(H,12,15,18)
InChIKeyHYKCGNHOSRPGCP-UHFFFAOYSA-N
XLogP-0.76
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine (CID 66747547) is 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine is c1n[nH]nc1CN(Cc1cn[nH]n1)Cc1cn[nH]n1.
What is the InChIKey of 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
The InChIKey is HYKCGNHOSRPGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N10/c1-7(13-16-10-1)4-19(5-8-2-11-17-14-8)6-9-3-12-18-15-9/h1-3H,4-6H2,(H,10,13,16)(H,11,14,17)(H,12,15,18).
What are the key properties of 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine?
1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine has a molecular weight of 260.26 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-yl)-N,N-bis(2H-triazol-4-ylmethyl)methanamine is sourced from PubChem (CID 66747547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).