N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine

C10H20N4 — CID 62817470

IUPACN-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCNC(C)(C)c1n[nH]c(C(C)C)n1
InChIInChI=1S/C10H20N4/c1-6-11-10(4,5)9-12-8(7(2)3)13-14-9/h7,11H,6H2,1-5H3,(H,12,13,14)
InChIKeyOKYMUXGWHRDKTE-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.77
Rot. Bonds4

About N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine

N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 62817470) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID62817470
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCNC(C)(C)c1n[nH]c(C(C)C)n1
InChIInChI=1S/C10H20N4/c1-6-11-10(4,5)9-12-8(7(2)3)13-14-9/h7,11H,6H2,1-5H3,(H,12,13,14)
InChIKeyOKYMUXGWHRDKTE-UHFFFAOYSA-N
XLogP1.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine (CID 62817470) is N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine is CCNC(C)(C)c1n[nH]c(C(C)C)n1.
What is the InChIKey of N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is OKYMUXGWHRDKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-6-11-10(4,5)9-12-8(7(2)3)13-14-9/h7,11H,6H2,1-5H3,(H,12,13,14).
What are the key properties of N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine?
N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 62817470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).