4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide

C11H19N5O2 — CID 64511306

IUPAC4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H19N5O2/c1-16(6-9-13-8-14-15-9)10(17)11(7-12)2-4-18-5-3-11/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyURMUBMLMUBSQBE-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.48
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide

4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide (PubChem CID 64511306) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
PubChem CID64511306
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H19N5O2/c1-16(6-9-13-8-14-15-9)10(17)11(7-12)2-4-18-5-3-11/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyURMUBMLMUBSQBE-UHFFFAOYSA-N
XLogP-0.48
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide (CID 64511306) is 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide is CN(Cc1ncn[nH]1)C(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
The InChIKey is URMUBMLMUBSQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16(6-9-13-8-14-15-9)10(17)11(7-12)2-4-18-5-3-11/h8H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide?
4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 64511306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).