2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine

C12H18N6 — CID 107447588

IUPAC2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCc1cc(-n2ncnc2CNCC(C)C)ncn1
InChIInChI=1S/C12H18N6/c1-9(2)5-13-6-12-16-8-17-18(12)11-4-10(3)14-7-15-11/h4,7-9,13H,5-6H2,1-3H3
InChIKeyNSAULZZEKIIAOE-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.11
Rot. Bonds5

About 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine

2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (PubChem CID 107447588) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
PubChem CID107447588
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
SMILESCc1cc(-n2ncnc2CNCC(C)C)ncn1
InChIInChI=1S/C12H18N6/c1-9(2)5-13-6-12-16-8-17-18(12)11-4-10(3)14-7-15-11/h4,7-9,13H,5-6H2,1-3H3
InChIKeyNSAULZZEKIIAOE-UHFFFAOYSA-N
XLogP1.11
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107447523
N-[[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107447337
2-methyl-N-[[2-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447443
2-methyl-N-[[2-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447657
N-[[2-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107447395
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114349033
N-[[2-(4-methoxybutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 104649613
3-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905256
2-methyl-N-[[2-(2-propylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 106730602
2-methyl-N-[[2-[(1-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 82872224
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 103041258
2-methoxy-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 102698021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine (CID 107447588) is 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is Cc1cc(-n2ncnc2CNCC(C)C)ncn1.
What is the InChIKey of 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
The InChIKey is NSAULZZEKIIAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-9(2)5-13-6-12-16-8-17-18(12)11-4-10(3)14-7-15-11/h4,7-9,13H,5-6H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine has a molecular weight of 246.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(6-methylpyrimidin-4-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107447588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).