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

C9H13N5O — CID 114387798

IUPAC2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2nccnn2)CCCN1
InChIInChI=1S/C9H13N5O/c1-9(3-2-4-11-9)7(15)13-8-10-5-6-12-14-8/h5-6,11H,2-4H2,1H3,(H,10,13,14,15)
InChIKeyRAHHUTJYFGFXKO-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.05
Rot. Bonds2

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

2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 114387798) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide
PubChem CID114387798
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)Nc2nccnn2)CCCN1
InChIInChI=1S/C9H13N5O/c1-9(3-2-4-11-9)7(15)13-8-10-5-6-12-14-8/h5-6,11H,2-4H2,1H3,(H,10,13,14,15)
InChIKeyRAHHUTJYFGFXKO-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide (CID 114387798) is 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide is CC1(C(=O)Nc2nccnn2)CCCN1.
What is the InChIKey of 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is RAHHUTJYFGFXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-9(3-2-4-11-9)7(15)13-8-10-5-6-12-14-8/h5-6,11H,2-4H2,1H3,(H,10,13,14,15).
What are the key properties of 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide?
2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 207.24 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,4-triazin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 114387798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).