(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride

C11H16Cl2N6O — CID 119859600

IUPAC(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)Nc1cccnc1-n1cncn1.Cl.Cl
InChIInChI=1S/C11H14N6O.2ClH/c1-2-8(12)11(18)16-9-4-3-5-14-10(9)17-7-13-6-15-17;;/h3-8H,2,12H2,1H3,(H,16,18);2*1H/t8-;;/m0../s1
InChIKeyHGMCXKMQRBHQBA-JZGIKJSDSA-N
MW319.20 g/mol
LogP1.18
Rot. Bonds4

About (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride

(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride (PubChem CID 119859600) has the molecular formula C11H16Cl2N6O and a molecular weight of 319.20 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
PubChem CID119859600
Molecular FormulaC11H16Cl2N6O
Molecular Weight319.20 g/mol
Exact Mass318.08
IUPAC Name(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)Nc1cccnc1-n1cncn1.Cl.Cl
InChIInChI=1S/C11H14N6O.2ClH/c1-2-8(12)11(18)16-9-4-3-5-14-10(9)17-7-13-6-15-17;;/h3-8H,2,12H2,1H3,(H,16,18);2*1H/t8-;;/m0../s1
InChIKeyHGMCXKMQRBHQBA-JZGIKJSDSA-N
XLogP1.18
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 81087312
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798
2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
1-(3-butoxypropyl)-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 60616709
4-amino-5-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 61166742

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride (CID 119859600) is (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride is CC[C@H](N)C(=O)Nc1cccnc1-n1cncn1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
The InChIKey is HGMCXKMQRBHQBA-JZGIKJSDSA-N. The full InChI is InChI=1S/C11H14N6O.2ClH/c1-2-8(12)11(18)16-9-4-3-5-14-10(9)17-7-13-6-15-17;;/h3-8H,2,12H2,1H3,(H,16,18);2*1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride?
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride has a molecular weight of 319.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride is sourced from PubChem (CID 119859600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).