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

C10H17N7 — CID 62447559

IUPACN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C10H17N7/c1-9(2)12-5-10-6-16(15-14-10)3-4-17-8-11-7-13-17/h6-9,12H,3-5H2,1-2H3
InChIKeyYHQOATJMIIGYLG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.07
Rot. Bonds6

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

N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62447559) 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-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62447559
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-2-amine
SMILESCC(C)NCc1cn(CCn2cncn2)nn1
InChIInChI=1S/C10H17N7/c1-9(2)12-5-10-6-16(15-14-10)3-4-17-8-11-7-13-17/h6-9,12H,3-5H2,1-2H3
InChIKeyYHQOATJMIIGYLG-UHFFFAOYSA-N
XLogP0.07
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62447559) is N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCn2cncn2)nn1.
What is the InChIKey of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is YHQOATJMIIGYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-9(2)12-5-10-6-16(15-14-10)3-4-17-8-11-7-13-17/h6-9,12H,3-5H2,1-2H3.
What are the key properties of N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 0.07, 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]propan-2-amine is sourced from PubChem (CID 62447559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).