6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide

C13H25N5O — CID 65291152

IUPAC6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide
SMILESCc1nc(CN(C)C(=O)C(C)CCCC(C)N)n[nH]1
InChIInChI=1S/C13H25N5O/c1-9(6-5-7-10(2)14)13(19)18(4)8-12-15-11(3)16-17-12/h9-10H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyHDFWTYNOPJTZKK-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.23
Rot. Bonds7

About 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide

6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide (PubChem CID 65291152) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide.

Molecular Properties

Compound Name6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide
PubChem CID65291152
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide
SMILESCc1nc(CN(C)C(=O)C(C)CCCC(C)N)n[nH]1
InChIInChI=1S/C13H25N5O/c1-9(6-5-7-10(2)14)13(19)18(4)8-12-15-11(3)16-17-12/h9-10H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyHDFWTYNOPJTZKK-UHFFFAOYSA-N
XLogP1.23
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide?
The IUPAC name of 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide (CID 65291152) is 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide.
What is the SMILES notation for 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide?
The canonical SMILES for 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide is Cc1nc(CN(C)C(=O)C(C)CCCC(C)N)n[nH]1.
What is the InChIKey of 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide?
The InChIKey is HDFWTYNOPJTZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-9(6-5-7-10(2)14)13(19)18(4)8-12-15-11(3)16-17-12/h9-10H,5-8,14H2,1-4H3,(H,15,16,17).
What are the key properties of 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide?
6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide has a molecular weight of 267.38 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide is sourced from PubChem (CID 65291152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).