N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine

C10H16N6 — CID 114530308

IUPACN-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-11-8(10-13-7-14-15-10)3-4-9-12-5-6-16(9)2/h5-8,11H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyPVWJPHUOSKKJNS-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.43
Rot. Bonds5

About N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine

N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 114530308) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID114530308
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1ncn[nH]1
InChIInChI=1S/C10H16N6/c1-11-8(10-13-7-14-15-10)3-4-9-12-5-6-16(9)2/h5-8,11H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyPVWJPHUOSKKJNS-UHFFFAOYSA-N
XLogP0.43
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
N-methyl-3-(1-methylimidazol-2-yl)-1-pyridazin-4-ylpropan-1-amine
CID 105187782
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763
N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65362730
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105187661
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
N-methyl-3-(1-methylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 105187738
1-(6-methoxypyrimidin-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102950952
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049923
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 114530308) is N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine is CNC(CCc1nccn1C)c1ncn[nH]1.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is PVWJPHUOSKKJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-11-8(10-13-7-14-15-10)3-4-9-12-5-6-16(9)2/h5-8,11H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine?
N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 114530308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).