N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide

C9H15N5O — CID 112732753

IUPACN-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn[nH]n1
InChIInChI=1S/C9H15N5O/c15-9(8-7-11-13-12-8)10-3-6-14-4-1-2-5-14/h7H,1-6H2,(H,10,15)(H,11,12,13)
InChIKeyNEWJUJTWWNYWSV-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide

N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide (PubChem CID 112732753) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
PubChem CID112732753
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cn[nH]n1
InChIInChI=1S/C9H15N5O/c15-9(8-7-11-13-12-8)10-3-6-14-4-1-2-5-14/h7H,1-6H2,(H,10,15)(H,11,12,13)
InChIKeyNEWJUJTWWNYWSV-UHFFFAOYSA-N
XLogP-0.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide (CID 112732753) is N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide is O=C(NCCN1CCCC1)c1cn[nH]n1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
The InChIKey is NEWJUJTWWNYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c15-9(8-7-11-13-12-8)10-3-6-14-4-1-2-5-14/h7H,1-6H2,(H,10,15)(H,11,12,13).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide?
N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).