[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine

C9H14N6 — CID 62055653

IUPAC[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine
SMILESNCc1cn(CCCn2ccnc2)nn1
InChIInChI=1S/C9H14N6/c10-6-9-7-15(13-12-9)4-1-3-14-5-2-11-8-14/h2,5,7-8H,1,3-4,6,10H2
InChIKeyWKROVMHXTXNHRA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.02
Rot. Bonds5

About [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine

[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine (PubChem CID 62055653) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine
PubChem CID62055653
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine
SMILESNCc1cn(CCCn2ccnc2)nn1
InChIInChI=1S/C9H14N6/c10-6-9-7-15(13-12-9)4-1-3-14-5-2-11-8-14/h2,5,7-8H,1,3-4,6,10H2
InChIKeyWKROVMHXTXNHRA-UHFFFAOYSA-N
XLogP0.02
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]acetic acid
CID 107461840
2-amino-N-[[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methyl]acetamide
CID 114778822
3-[4-[(2-imidazol-1-ylethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268182
2-amino-3-[1-(2-imidazol-1-ylethyl)triazol-4-yl]propanoic acid
CID 116735014
methyl 1-(3-imidazol-1-ylpropyl)triazole-4-carboxylate
CID 104601011
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
3-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62756118
6-[4-(aminomethyl)triazol-1-yl]hexanoic acid
CID 132577398
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
CID 70709600
2-[4-(aminomethyl)triazol-1-yl]-N-methylethanamine
CID 115460281

Frequently Asked Questions

What is the IUPAC name of [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine (CID 62055653) is [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine is NCc1cn(CCCn2ccnc2)nn1.
What is the InChIKey of [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine?
The InChIKey is WKROVMHXTXNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c10-6-9-7-15(13-12-9)4-1-3-14-5-2-11-8-14/h2,5,7-8H,1,3-4,6,10H2.
What are the key properties of [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine?
[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine has a molecular weight of 206.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).