(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

C9H17N5O — CID 106282665

IUPAC(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(NC(=O)[C@H](N)C(C)C)c1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-5(2)7(10)9(15)13-6(3)8-11-4-12-14-8/h4-7H,10H2,1-3H3,(H,13,15)(H,11,12,14)/t6?,7-/m1/s1
InChIKeyYWZNLKQPGPCJTE-COBSHVIPSA-N
MW211.27 g/mol
LogP-0.03
Rot. Bonds4

About (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide

(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 106282665) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID106282665
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(NC(=O)[C@H](N)C(C)C)c1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-5(2)7(10)9(15)13-6(3)8-11-4-12-14-8/h4-7H,10H2,1-3H3,(H,13,15)(H,11,12,14)/t6?,7-/m1/s1
InChIKeyYWZNLKQPGPCJTE-COBSHVIPSA-N
XLogP-0.03
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
3-chloro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282499
2-amino-4-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 103827821
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-ynamide
CID 103846656
(2S)-3-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283416
3-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 106283360
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]but-2-ynamide
CID 106741649
4-(2-aminoethyl)-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 106282651
2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]acetic acid
CID 106283363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 106282665) is (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is CC(NC(=O)[C@H](N)C(C)C)c1ncn[nH]1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is YWZNLKQPGPCJTE-COBSHVIPSA-N. The full InChI is InChI=1S/C9H17N5O/c1-5(2)7(10)9(15)13-6(3)8-11-4-12-14-8/h4-7H,10H2,1-3H3,(H,13,15)(H,11,12,14)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide?
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 211.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 106282665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).