2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide

C7H11N5O — CID 114387858

IUPAC2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
SMILESCNC(C)C(=O)Nc1nccnn1
InChIInChI=1S/C7H11N5O/c1-5(8-2)6(13)11-7-9-3-4-10-12-7/h3-5,8H,1-2H3,(H,9,11,12,13)
InChIKeySDLAADVUPMZFGJ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.58
Rot. Bonds3

About 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide

2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide (PubChem CID 114387858) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
PubChem CID114387858
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
SMILESCNC(C)C(=O)Nc1nccnn1
InChIInChI=1S/C7H11N5O/c1-5(8-2)6(13)11-7-9-3-4-10-12-7/h3-5,8H,1-2H3,(H,9,11,12,13)
InChIKeySDLAADVUPMZFGJ-UHFFFAOYSA-N
XLogP-0.58
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-3-sulfanylidene-N-(1,2,4-triazin-3-yl)propanamide
CID 114388038
6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide
CID 114387757
3-amino-2-methoxy-N-(1,2,4-triazin-3-yl)propanamide
CID 106113956
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
CID 104919515
2-amino-N-(1,2,4-triazin-3-yl)hexanamide
CID 104919504
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
4-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389539
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
2-(methylamino)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389471
2-(ethylamino)-N-(1,2,4-triazin-3-yl)acetamide
CID 114387856
3-methyl-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388772
3-[ethyl(1,2,4-triazin-3-ylcarbamoyl)amino]butanoic acid
CID 114388686

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide?
The IUPAC name of 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide (CID 114387858) is 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide.
What is the SMILES notation for 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide?
The canonical SMILES for 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide is CNC(C)C(=O)Nc1nccnn1.
What is the InChIKey of 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide?
The InChIKey is SDLAADVUPMZFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-5(8-2)6(13)11-7-9-3-4-10-12-7/h3-5,8H,1-2H3,(H,9,11,12,13).
What are the key properties of 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide?
2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide has a molecular weight of 181.20 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide is sourced from PubChem (CID 114387858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).