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

C14H24N6 — CID 106720070

IUPAC2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCn1ncnc1Cn1cnc(CNCC(C)C)c1
InChIInChI=1S/C14H24N6/c1-4-5-20-14(16-10-18-20)9-19-8-13(17-11-19)7-15-6-12(2)3/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyGTAFMWBIPLDCHD-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.68
Rot. Bonds8

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

2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106720070) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106720070
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCn1ncnc1Cn1cnc(CNCC(C)C)c1
InChIInChI=1S/C14H24N6/c1-4-5-20-14(16-10-18-20)9-19-8-13(17-11-19)7-15-6-12(2)3/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyGTAFMWBIPLDCHD-UHFFFAOYSA-N
XLogP1.68
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carbaldehyde
CID 106716793
2,3-dimethyl-N-(2-methylpropyl)-4-(2-propyl-1,2,4-triazol-3-yl)butan-1-amine
CID 81017156
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106720013
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204100
2,2-difluoro-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 115406742
2-methoxy-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 102698035
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
2-methyl-N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66194216
2-methyl-N-[[1-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720145
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine (CID 106720070) is 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is CCCn1ncnc1Cn1cnc(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GTAFMWBIPLDCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-4-5-20-14(16-10-18-20)9-19-8-13(17-11-19)7-15-6-12(2)3/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 276.39 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106720070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).