N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine

C10H20N4 — CID 62817837

IUPACN-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1cnnc1C(C)(C)NCC
InChIInChI=1S/C10H20N4/c1-5-7-14-8-12-13-9(14)10(3,4)11-6-2/h8,11H,5-7H2,1-4H3
InChIKeyATYLXUNHIIGEAO-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.53
Rot. Bonds5

About N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine

N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 62817837) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID62817837
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1cnnc1C(C)(C)NCC
InChIInChI=1S/C10H20N4/c1-5-7-14-8-12-13-9(14)10(3,4)11-6-2/h8,11H,5-7H2,1-4H3
InChIKeyATYLXUNHIIGEAO-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine (CID 62817837) is N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine is CCCn1cnnc1C(C)(C)NCC.
What is the InChIKey of N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is ATYLXUNHIIGEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-7-14-8-12-13-9(14)10(3,4)11-6-2/h8,11H,5-7H2,1-4H3.
What are the key properties of N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-propyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 62817837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).