3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide

C8H11N5O2 — CID 175895695

IUPAC3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1cnc(N2CC[C@@H](O)C2)nn1
InChIInChI=1S/C8H11N5O2/c9-7(15)6-3-10-8(12-11-6)13-2-1-5(14)4-13/h3,5,14H,1-2,4H2,(H2,9,15)/t5-/m1/s1
InChIKeyVHIMEJVGUKQNLG-RXMQYKEDSA-N
MW209.21 g/mol
LogP-1.46
Rot. Bonds2

About 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide

3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide (PubChem CID 175895695) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
PubChem CID175895695
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1cnc(N2CC[C@@H](O)C2)nn1
InChIInChI=1S/C8H11N5O2/c9-7(15)6-3-10-8(12-11-6)13-2-1-5(14)4-13/h3,5,14H,1-2,4H2,(H2,9,15)/t5-/m1/s1
InChIKeyVHIMEJVGUKQNLG-RXMQYKEDSA-N
XLogP-1.46
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide (CID 175895695) is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide is NC(=O)c1cnc(N2CC[C@@H](O)C2)nn1.
What is the InChIKey of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
The InChIKey is VHIMEJVGUKQNLG-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-7(15)6-3-10-8(12-11-6)13-2-1-5(14)4-13/h3,5,14H,1-2,4H2,(H2,9,15)/t5-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide has a molecular weight of 209.21 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 175895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).