(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

C8H15N5O — CID 79023094

IUPAC(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-2-6(9)8(14)10-4-3-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13)/t6-/m0/s1
InChIKeyREOURYPPTPIQBF-LURJTMIESA-N
MW197.24 g/mol
LogP-0.80
Rot. Bonds5

About (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 79023094) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID79023094
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H15N5O/c1-2-6(9)8(14)10-4-3-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13)/t6-/m0/s1
InChIKeyREOURYPPTPIQBF-LURJTMIESA-N
XLogP-0.80
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
CID 64529554
2-amino-3-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 81102196
(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
CID 65291250
(2S,3S)-2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64532327
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 104903173
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
CID 64532139
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 79023094) is (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is CC[C@H](N)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is REOURYPPTPIQBF-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N5O/c1-2-6(9)8(14)10-4-3-7-11-5-12-13-7/h5-6H,2-4,9H2,1H3,(H,10,14)(H,11,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 197.24 g/mol, XLogP of -0.80, 5 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-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 79023094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).