1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

C8H13N5O2 — CID 146511172

IUPAC1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESNCC1CCC(n2cnc(C(N)=O)n2)O1
InChIInChI=1S/C8H13N5O2/c9-3-5-1-2-6(15-5)13-4-11-8(12-13)7(10)14/h4-6H,1-3,9H2,(H2,10,14)
InChIKeyGTMCLUZJILEXKL-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.99
Rot. Bonds3

About 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 146511172) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
PubChem CID146511172
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
SMILESNCC1CCC(n2cnc(C(N)=O)n2)O1
InChIInChI=1S/C8H13N5O2/c9-3-5-1-2-6(15-5)13-4-11-8(12-13)7(10)14/h4-6H,1-3,9H2,(H2,10,14)
InChIKeyGTMCLUZJILEXKL-UHFFFAOYSA-N
XLogP-0.99
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide (CID 146511172) is 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is NCC1CCC(n2cnc(C(N)=O)n2)O1.
What is the InChIKey of 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GTMCLUZJILEXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-3-5-1-2-6(15-5)13-4-11-8(12-13)7(10)14/h4-6H,1-3,9H2,(H2,10,14).
What are the key properties of 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide?
1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 146511172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).