2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide

C12H23N5O — CID 119891069

IUPAC2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCn1cnnc1C(C)C
InChIInChI=1S/C12H23N5O/c1-4-5-10(13)12(18)14-6-7-17-8-15-16-11(17)9(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyNZDVBOPBXLYTPL-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.65
Rot. Bonds7

About 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide

2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide (PubChem CID 119891069) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide
PubChem CID119891069
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCCn1cnnc1C(C)C
InChIInChI=1S/C12H23N5O/c1-4-5-10(13)12(18)14-6-7-17-8-15-16-11(17)9(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyNZDVBOPBXLYTPL-UHFFFAOYSA-N
XLogP0.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
CID 119891087
7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide
CID 119891057
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 118774494
(2S)-2-amino-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]pentanamide;hydrochloride
CID 154903527
3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 120613296
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
(E)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 75533647
4-chloro-2-hydroxy-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]benzamide
CID 71985196
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 103797782
2-amino-N-propylpentanamide
CID 43649977
ethyl 2-(4-propyl-1,2,4-triazol-3-yl)pentanoate
CID 79472088
N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71985194

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide (CID 119891069) is 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide is CCCC(N)C(=O)NCCn1cnnc1C(C)C.
What is the InChIKey of 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide?
The InChIKey is NZDVBOPBXLYTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-5-10(13)12(18)14-6-7-17-8-15-16-11(17)9(2)3/h8-10H,4-7,13H2,1-3H3,(H,14,18).
What are the key properties of 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide?
2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide has a molecular weight of 253.35 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 119891069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).