6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide

C11H19N5O — CID 114387757

IUPAC6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-8(4-3-5-9(2)12)10(17)15-11-13-6-7-14-16-11/h6-9H,3-5,12H2,1-2H3,(H,13,15,16,17)
InChIKeyWRHHJNILJPDUPO-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.96
Rot. Bonds6

About 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide

6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide (PubChem CID 114387757) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide.

Molecular Properties

Compound Name6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide
PubChem CID114387757
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-8(4-3-5-9(2)12)10(17)15-11-13-6-7-14-16-11/h6-9H,3-5,12H2,1-2H3,(H,13,15,16,17)
InChIKeyWRHHJNILJPDUPO-UHFFFAOYSA-N
XLogP0.96
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-methyl-N-pyrimidin-2-ylheptanamide
CID 65293354
2-amino-N-(1,2,4-triazin-3-yl)hexanamide
CID 104919504
2-(methylamino)-N-(1,2,4-triazin-3-yl)propanamide
CID 114387858
3-amino-2-methyl-3-sulfanylidene-N-(1,2,4-triazin-3-yl)propanamide
CID 114388038
6-amino-2-methyl-N-(thiadiazol-5-yl)heptanamide
CID 114912212
6-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)heptanamide
CID 65291097
(2S)-2-amino-3-methyl-N-[2-oxo-2-(1,2,4-triazin-3-ylamino)ethyl]butanamide
CID 104919515
6-amino-N-(3,5-dimethylphenyl)-2-methylheptanamide
CID 65292589
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
3-amino-2-methoxy-N-(1,2,4-triazin-3-yl)propanamide
CID 106113956
6-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-methylheptanamide
CID 65290605
6-amino-N-[2-(carbamoylamino)ethyl]-2-methylheptanamide
CID 83109295

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide?
The IUPAC name of 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide (CID 114387757) is 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide.
What is the SMILES notation for 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide?
The canonical SMILES for 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide is CC(N)CCCC(C)C(=O)Nc1nccnn1.
What is the InChIKey of 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide?
The InChIKey is WRHHJNILJPDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(4-3-5-9(2)12)10(17)15-11-13-6-7-14-16-11/h6-9H,3-5,12H2,1-2H3,(H,13,15,16,17).
What are the key properties of 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide?
6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide has a molecular weight of 237.31 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-N-(1,2,4-triazin-3-yl)heptanamide is sourced from PubChem (CID 114387757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).