N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine

C10H17N7 — CID 55073461

IUPACN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C10H17N7/c1-2-3-11-6-10-7-16(15-14-10)4-5-17-9-12-8-13-17/h7-9,11H,2-6H2,1H3
InChIKeyBPJLJFONKLIGLM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.07
Rot. Bonds7

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

N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine (PubChem CID 55073461) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
PubChem CID55073461
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C10H17N7/c1-2-3-11-6-10-7-16(15-14-10)4-5-17-9-12-8-13-17/h7-9,11H,2-6H2,1H3
InChIKeyBPJLJFONKLIGLM-UHFFFAOYSA-N
XLogP0.07
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyrazol-4-amine
CID 75446845
1-(2-methylpropyl)-N-[(3-methyltriazol-4-yl)methyl]imidazol-2-amine
CID 132375692
4-[(3-methylimidazol-3-ium-1-yl)methyl]-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
CID 25178010
1-(Imidazol-5-ylmethyl)-1h-1,2,3-tri-azole
CID 129759567
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]propan-1-amine
CID 66192183
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]ethanamine
CID 66192538
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]propan-2-amine
CID 66194347
1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
5-Ethyl-1-[(3-methylimidazol-4-yl)methyl]tetrazole
CID 19771043
5-[(4-methyltriazol-1-yl)methyl]-1H-imidazol-2-amine
CID 57914419
N-[[1-[[4-[(propan-2-ylamino)methyl]triazol-1-yl]methyl]triazol-4-yl]methyl]propan-2-amine
CID 58011235

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine (CID 55073461) is N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCn2cncn2)nn1.
What is the InChIKey of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
The InChIKey is BPJLJFONKLIGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-2-3-11-6-10-7-16(15-14-10)4-5-17-9-12-8-13-17/h7-9,11H,2-6H2,1H3.
What are the key properties of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine?
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 55073461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).