4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide

C11H19N5O2 — CID 55038199

IUPAC4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
SMILESCn1cnnc1CNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H19N5O2/c1-16-8-14-15-9(16)6-13-10(17)11(7-12)2-4-18-5-3-11/h8H,2-7,12H2,1H3,(H,13,17)
InChIKeyRBAPRCBNQZDNAY-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.81
Rot. Bonds4

About 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide (PubChem CID 55038199) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
PubChem CID55038199
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
SMILESCn1cnnc1CNC(=O)C1(CN)CCOCC1
InChIInChI=1S/C11H19N5O2/c1-16-8-14-15-9(16)6-13-10(17)11(7-12)2-4-18-5-3-11/h8H,2-7,12H2,1H3,(H,13,17)
InChIKeyRBAPRCBNQZDNAY-UHFFFAOYSA-N
XLogP-0.81
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide (CID 55038199) is 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide is Cn1cnnc1CNC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is RBAPRCBNQZDNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16-8-14-15-9(16)6-13-10(17)11(7-12)2-4-18-5-3-11/h8H,2-7,12H2,1H3,(H,13,17).
What are the key properties of 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 55038199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).