3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

C10H16N6 — CID 62756118

IUPAC3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCn2ccnc2)nn1
InChIInChI=1S/C10H16N6/c1-15-8-10(13-14-15)7-11-3-2-5-16-6-4-12-9-16/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyLBCNHGAVLDPSOH-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.19
Rot. Bonds6

About 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 62756118) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID62756118
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCn1cc(CNCCCn2ccnc2)nn1
InChIInChI=1S/C10H16N6/c1-15-8-10(13-14-15)7-11-3-2-5-16-6-4-12-9-16/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyLBCNHGAVLDPSOH-UHFFFAOYSA-N
XLogP0.19
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268182
3-imidazol-1-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 62119548
3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 81176934
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 64801847
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 83075859
3-[(1-methyltriazol-4-yl)methylamino]propanamide
CID 62755404
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (CID 62756118) is 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is Cn1cc(CNCCCn2ccnc2)nn1.
What is the InChIKey of 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is LBCNHGAVLDPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-15-8-10(13-14-15)7-11-3-2-5-16-6-4-12-9-16/h4,6,8-9,11H,2-3,5,7H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 220.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62756118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).