3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide

C9H17N5O2 — CID 106113671

IUPAC3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCOC(CN)C(=O)NCCCn1ccnn1
InChIInChI=1S/C9H17N5O2/c1-16-8(7-10)9(15)11-3-2-5-14-6-4-12-13-14/h4,6,8H,2-3,5,7,10H2,1H3,(H,11,15)
InChIKeyKVCGMQKIEMPKJU-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.24
Rot. Bonds7

About 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide

3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide (PubChem CID 106113671) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
PubChem CID106113671
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCOC(CN)C(=O)NCCCn1ccnn1
InChIInChI=1S/C9H17N5O2/c1-16-8(7-10)9(15)11-3-2-5-14-6-4-12-13-14/h4,6,8H,2-3,5,7,10H2,1H3,(H,11,15)
InChIKeyKVCGMQKIEMPKJU-UHFFFAOYSA-N
XLogP-1.24
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
(2R)-2-amino-4-methylsulfanyl-N-[3-(triazol-1-yl)propyl]butanamide
CID 104909015
2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
2-acetamido-3-sulfanyl-N-[3-(triazol-1-yl)propyl]propanamide
CID 107769845
2-amino-3-(4-hydroxyphenyl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 114350714
2-methyl-2-[3-(triazol-1-yl)propylcarbamoylamino]propanoic acid
CID 113413133
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 119073158
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
(2R)-2-amino-4-methyl-N-[2-(triazol-1-yl)ethyl]pentanamide
CID 104903965
4-(triazol-1-yl)butan-1-amine
CID 75355685

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide (CID 106113671) is 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide is COC(CN)C(=O)NCCCn1ccnn1.
What is the InChIKey of 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide?
The InChIKey is KVCGMQKIEMPKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-16-8(7-10)9(15)11-3-2-5-14-6-4-12-13-14/h4,6,8H,2-3,5,7,10H2,1H3,(H,11,15).
What are the key properties of 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide?
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide has a molecular weight of 227.27 g/mol, XLogP of -1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide is sourced from PubChem (CID 106113671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).