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

C9H15N7 — CID 62447558

IUPACN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C9H15N7/c1-2-10-5-9-6-15(14-13-9)3-4-16-8-11-7-12-16/h6-8,10H,2-5H2,1H3
InChIKeyPTQCEEHBNFAYST-UHFFFAOYSA-N
MW221.27 g/mol
LogP-0.32
Rot. Bonds6

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

N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 62447558) has the molecular formula C9H15N7 and a molecular weight of 221.27 g/mol. Its IUPAC name is N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID62447558
Molecular FormulaC9H15N7
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C9H15N7/c1-2-10-5-9-6-15(14-13-9)3-4-16-8-11-7-12-16/h6-8,10H,2-5H2,1H3
InChIKeyPTQCEEHBNFAYST-UHFFFAOYSA-N
XLogP-0.32
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
1-(Imidazol-5-ylmethyl)-1h-1,2,3-tri-azole
CID 129759567
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]-N-methylmethanamine
CID 66191725
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
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-methyl-1-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methanamine
CID 66449763
N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66449959

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine (CID 62447558) is N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCn2cncn2)nn1.
What is the InChIKey of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is PTQCEEHBNFAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7/c1-2-10-5-9-6-15(14-13-9)3-4-16-8-11-7-12-16/h6-8,10H,2-5H2,1H3.
What are the key properties of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 221.27 g/mol, XLogP of -0.32, 6 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]ethanamine is sourced from PubChem (CID 62447558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).