N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine

C9H14N6 — CID 115682578

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
SMILESCn1ccnc1CNCc1cnnn1C
InChIInChI=1S/C9H14N6/c1-14-4-3-11-9(14)7-10-5-8-6-12-13-15(8)2/h3-4,6,10H,5,7H2,1-2H3
InChIKeyKBRPWBFKTDQJFX-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.16
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 115682578) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
PubChem CID115682578
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
SMILESCn1ccnc1CNCc1cnnn1C
InChIInChI=1S/C9H14N6/c1-14-4-3-11-9(14)7-10-5-8-6-12-13-15(8)2/h3-4,6,10H,5,7H2,1-2H3
InChIKeyKBRPWBFKTDQJFX-UHFFFAOYSA-N
XLogP-0.16
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115693317
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylethanamine
CID 115682458
1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738791
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115682021
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115689890
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine (CID 115682578) is N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine is Cn1ccnc1CNCc1cnnn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is KBRPWBFKTDQJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-4-3-11-9(14)7-10-5-8-6-12-13-15(8)2/h3-4,6,10H,5,7H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 206.25 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 115682578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).