(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

C8H15N5O — CID 80682364

IUPAC(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ncn(C)n1
InChIInChI=1S/C8H15N5O/c1-6(9)8(14)10-4-3-7-11-5-13(2)12-7/h5-6H,3-4,9H2,1-2H3,(H,10,14)/t6-/m1/s1
InChIKeyBYGZSBPGILYLCS-ZCFIWIBFSA-N
MW197.24 g/mol
LogP-1.18
Rot. Bonds4

About (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide

(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (PubChem CID 80682364) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
PubChem CID80682364
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCc1ncn(C)n1
InChIInChI=1S/C8H15N5O/c1-6(9)8(14)10-4-3-7-11-5-13(2)12-7/h5-6H,3-4,9H2,1-2H3,(H,10,14)/t6-/m1/s1
InChIKeyBYGZSBPGILYLCS-ZCFIWIBFSA-N
XLogP-1.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80683065
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 103797782
2-methyl-3-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682981
3-chloro-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682330
3,3-dimethyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]butanoic acid
CID 116537348
3-amino-2-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 106113202
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80685029
3-methyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]butanoic acid
CID 103258027
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
3-amino-3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80682439
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 80683038

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide (CID 80682364) is (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is C[C@@H](N)C(=O)NCCc1ncn(C)n1.
What is the InChIKey of (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
The InChIKey is BYGZSBPGILYLCS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(9)8(14)10-4-3-7-11-5-13(2)12-7/h5-6H,3-4,9H2,1-2H3,(H,10,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide?
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide has a molecular weight of 197.24 g/mol, XLogP of -1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 80682364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).