N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide

C14H17N5O2 — CID 56900306

IUPACN-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C14H17N5O2/c20-14(13-8-16-18-17-13)19(10-12-2-1-7-21-12)9-11-3-5-15-6-4-11/h3-6,8,12H,1-2,7,9-10H2,(H,16,17,18)
InChIKeyFEBMTDILHFPGJS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.02
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide

N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide (PubChem CID 56900306) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
PubChem CID56900306
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C14H17N5O2/c20-14(13-8-16-18-17-13)19(10-12-2-1-7-21-12)9-11-3-5-15-6-4-11/h3-6,8,12H,1-2,7,9-10H2,(H,16,17,18)
InChIKeyFEBMTDILHFPGJS-UHFFFAOYSA-N
XLogP1.02
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide (CID 56900306) is N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide is O=C(c1cn[nH]n1)N(Cc1ccncc1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
The InChIKey is FEBMTDILHFPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(13-8-16-18-17-13)19(10-12-2-1-7-21-12)9-11-3-5-15-6-4-11/h3-6,8,12H,1-2,7,9-10H2,(H,16,17,18).
What are the key properties of N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 56900306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).