1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C8H13N7 — CID 155512326

IUPAC1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnc(CNCc2ncn(C)n2)n1
InChIInChI=1S/C8H13N7/c1-14-5-10-7(12-14)3-9-4-8-11-6-15(2)13-8/h5-6,9H,3-4H2,1-2H3
InChIKeyZBHBXUCMXXJVLF-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.77
Rot. Bonds4

About 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 155512326) has the molecular formula C8H13N7 and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID155512326
Molecular FormulaC8H13N7
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnc(CNCc2ncn(C)n2)n1
InChIInChI=1S/C8H13N7/c1-14-5-10-7(12-14)3-9-4-8-11-6-15(2)13-8/h5-6,9H,3-4H2,1-2H3
InChIKeyZBHBXUCMXXJVLF-UHFFFAOYSA-N
XLogP-0.77
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 18314526
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
N,N-bis[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 155563785
methyl[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]amine
CID 56828625
((1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl)methyl)(methyl)amine
CID 65649099
(1-tert-butyl-1H-1,2,4-triazol-5-yl)methanamine
CID 112756369
methyl((1-methyl-1H-1,2,4-triazol-5-yl)methyl)amine hydrochloride
CID 145874485
methyl[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]amine dihydrochloride
CID 145909087
1-(1-ethyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 165890134

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 155512326) is 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cn1cnc(CNCc2ncn(C)n2)n1.
What is the InChIKey of 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is ZBHBXUCMXXJVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7/c1-14-5-10-7(12-14)3-9-4-8-11-6-15(2)13-8/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 207.24 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-1,2,4-triazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 155512326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).