3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C13H21N5O — CID 64517474

IUPAC3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2C3CCC(C3)C2N)n[nH]1
InChIInChI=1S/C13H21N5O/c1-7-15-10(17-16-7)6-18(2)13(19)11-8-3-4-9(5-8)12(11)14/h8-9,11-12H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyOZQBULMBIVEEJV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.44
Rot. Bonds3

About 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 64517474) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID64517474
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1nc(CN(C)C(=O)C2C3CCC(C3)C2N)n[nH]1
InChIInChI=1S/C13H21N5O/c1-7-15-10(17-16-7)6-18(2)13(19)11-8-3-4-9(5-8)12(11)14/h8-9,11-12H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyOZQBULMBIVEEJV-UHFFFAOYSA-N
XLogP0.44
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 64517474) is 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1nc(CN(C)C(=O)C2C3CCC(C3)C2N)n[nH]1.
What is the InChIKey of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OZQBULMBIVEEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-7-15-10(17-16-7)6-18(2)13(19)11-8-3-4-9(5-8)12(11)14/h8-9,11-12H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 64517474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).