2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide

C8H15N5O — CID 62119574

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCC(NC(C)c1nncn1C)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(7(9)14)11-6(2)8-12-10-4-13(8)3/h4-6,11H,1-3H3,(H2,9,14)
InChIKeyLNUWFSMTLGAKEM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.66
Rot. Bonds4

About 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (PubChem CID 62119574) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
PubChem CID62119574
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
SMILESCC(NC(C)c1nncn1C)C(N)=O
InChIInChI=1S/C8H15N5O/c1-5(7(9)14)11-6(2)8-12-10-4-13(8)3/h4-6,11H,1-3H3,(H2,9,14)
InChIKeyLNUWFSMTLGAKEM-UHFFFAOYSA-N
XLogP-0.66
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 ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 62118650
N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119208
N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62118292
1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
CID 62116971
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 60837807
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
2,2,2-trifluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63374666
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanoic acid
CID 103248684
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
(E)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]prop-2-enoic acid
CID 103248691

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide (CID 62119574) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is CC(NC(C)c1nncn1C)C(N)=O.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
The InChIKey is LNUWFSMTLGAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(7(9)14)11-6(2)8-12-10-4-13(8)3/h4-6,11H,1-3H3,(H2,9,14).
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide has a molecular weight of 197.24 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 62119574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).