N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine

C13H22N6 — CID 131937077

IUPACN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
SMILESCCCn1cnnc1CNCc1nc(C)c(C)n1C
InChIInChI=1S/C13H22N6/c1-5-6-19-9-15-17-13(19)8-14-7-12-16-10(2)11(3)18(12)4/h9,14H,5-8H2,1-4H3
InChIKeyTVPXDVUOIHEXBY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.33
Rot. Bonds6

About N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine

N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine (PubChem CID 131937077) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
PubChem CID131937077
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
SMILESCCCn1cnnc1CNCc1nc(C)c(C)n1C
InChIInChI=1S/C13H22N6/c1-5-6-19-9-15-17-13(19)8-14-7-12-16-10(2)11(3)18(12)4/h9,14H,5-8H2,1-4H3
InChIKeyTVPXDVUOIHEXBY-UHFFFAOYSA-N
XLogP1.33
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]imidazole-4,5-dicarbonitrile
CID 86805302
3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 144979396
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 50978613
1-ethyl-N-[(1-ethyl-4,5-dimethylimidazol-2-yl)diazenyl]-4,5-dimethylimidazol-2-amine
CID 59318646
3-methyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118607901
2-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614212
3-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614497
3,4-dimethyl-5-(5-methyl-1H-imidazol-4-yl)-1,2,4-triazole
CID 135626904
3-methyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 148620613
3-ethyl-2-(2-methyltetrazol-5-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 154019395
1,3,5-Trimethyl-1,2,4-triazole;1,4,5-trimethyltriazole
CID 158515637
1,2,4-Trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole
CID 160689169

Frequently Asked Questions

What is the IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
The IUPAC name of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine (CID 131937077) is N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine.
What is the SMILES notation for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
The canonical SMILES for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine is CCCn1cnnc1CNCc1nc(C)c(C)n1C.
What is the InChIKey of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
The InChIKey is TVPXDVUOIHEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-6-19-9-15-17-13(19)8-14-7-12-16-10(2)11(3)18(12)4/h9,14H,5-8H2,1-4H3.
What are the key properties of N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine?
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine has a molecular weight of 262.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine is sourced from PubChem (CID 131937077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).