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

C8H16N4 — CID 61387124

IUPAC2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCn1cncn1
InChIInChI=1S/C8H16N4/c1-8(2,3)10-4-5-12-7-9-6-11-12/h6-7,10H,4-5H2,1-3H3
InChIKeyDQDCZIZSYHYUOK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.67
Rot. Bonds3

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

2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (PubChem CID 61387124) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
PubChem CID61387124
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCn1cncn1
InChIInChI=1S/C8H16N4/c1-8(2,3)10-4-5-12-7-9-6-11-12/h6-7,10H,4-5H2,1-3H3
InChIKeyDQDCZIZSYHYUOK-UHFFFAOYSA-N
XLogP0.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine (CID 61387124) is 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is CC(C)(C)NCCn1cncn1.
What is the InChIKey of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
The InChIKey is DQDCZIZSYHYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-8(2,3)10-4-5-12-7-9-6-11-12/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 61387124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).