4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide

C12H21N5O2 — CID 64509969

IUPAC4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
SMILESCc1nc(CN(C)C(=O)C2(CN)CCOCC2)n[nH]1
InChIInChI=1S/C12H21N5O2/c1-9-14-10(16-15-9)7-17(2)11(18)12(8-13)3-5-19-6-4-12/h3-8,13H2,1-2H3,(H,14,15,16)
InChIKeyNYYWLQJJPXOLSK-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.17
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide (PubChem CID 64509969) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
PubChem CID64509969
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide
SMILESCc1nc(CN(C)C(=O)C2(CN)CCOCC2)n[nH]1
InChIInChI=1S/C12H21N5O2/c1-9-14-10(16-15-9)7-17(2)11(18)12(8-13)3-5-19-6-4-12/h3-8,13H2,1-2H3,(H,14,15,16)
InChIKeyNYYWLQJJPXOLSK-UHFFFAOYSA-N
XLogP-0.17
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.17
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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide (CID 64509969) is 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide is Cc1nc(CN(C)C(=O)C2(CN)CCOCC2)n[nH]1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is NYYWLQJJPXOLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-9-14-10(16-15-9)7-17(2)11(18)12(8-13)3-5-19-6-4-12/h3-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.17, 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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 64509969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).