(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride

C14H20ClN5O — CID 119296859

IUPAC(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
SMILESCC(C)c1nc(-c2ccccc2NC(=O)[C@H](C)N)n[nH]1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-8(2)12-17-13(19-18-12)10-6-4-5-7-11(10)16-14(20)9(3)15;/h4-9H,15H2,1-3H3,(H,16,20)(H,17,18,19);1H/t9-;/m0./s1
InChIKeyLJLREWONEXFXLN-FVGYRXGTSA-N
MW309.80 g/mol
LogP2.30
Rot. Bonds4

About (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride (PubChem CID 119296859) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
PubChem CID119296859
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
SMILESCC(C)c1nc(-c2ccccc2NC(=O)[C@H](C)N)n[nH]1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-8(2)12-17-13(19-18-12)10-6-4-5-7-11(10)16-14(20)9(3)15;/h4-9H,15H2,1-3H3,(H,16,20)(H,17,18,19);1H/t9-;/m0./s1
InChIKeyLJLREWONEXFXLN-FVGYRXGTSA-N
XLogP2.30
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride (CID 119296859) is (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride is CC(C)c1nc(-c2ccccc2NC(=O)[C@H](C)N)n[nH]1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
The InChIKey is LJLREWONEXFXLN-FVGYRXGTSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-8(2)12-17-13(19-18-12)10-6-4-5-7-11(10)16-14(20)9(3)15;/h4-9H,15H2,1-3H3,(H,16,20)(H,17,18,19);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119296859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).