3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide

C9H13N5O — CID 102780151

IUPAC3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1nccnn1
InChIInChI=1S/C9H13N5O/c1-6-2-3-10-7(6)8(15)13-9-11-4-5-12-14-9/h4-7,10H,2-3H2,1H3,(H,11,13,14,15)
InChIKeyVUYVEOVMXMMJOG-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.19
Rot. Bonds2

About 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide

3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 102780151) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide
PubChem CID102780151
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1nccnn1
InChIInChI=1S/C9H13N5O/c1-6-2-3-10-7(6)8(15)13-9-11-4-5-12-14-9/h4-7,10H,2-3H2,1H3,(H,11,13,14,15)
InChIKeyVUYVEOVMXMMJOG-UHFFFAOYSA-N
XLogP-0.19
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide (CID 102780151) is 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1nccnn1.
What is the InChIKey of 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is VUYVEOVMXMMJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-2-3-10-7(6)8(15)13-9-11-4-5-12-14-9/h4-7,10H,2-3H2,1H3,(H,11,13,14,15).
What are the key properties of 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 207.24 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102780151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).