3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide

C10H17N5O — CID 114387744

IUPAC3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCC(C)(C)C(N)CC(=O)Nc1nccnn1
InChIInChI=1S/C10H17N5O/c1-10(2,3)7(11)6-8(16)14-9-12-4-5-13-15-9/h4-5,7H,6,11H2,1-3H3,(H,12,14,15,16)
InChIKeyDABJEVWBNUVHBC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.57
Rot. Bonds3

About 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide

3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide (PubChem CID 114387744) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
PubChem CID114387744
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCC(C)(C)C(N)CC(=O)Nc1nccnn1
InChIInChI=1S/C10H17N5O/c1-10(2,3)7(11)6-8(16)14-9-12-4-5-13-15-9/h4-5,7H,6,11H2,1-3H3,(H,12,14,15,16)
InChIKeyDABJEVWBNUVHBC-UHFFFAOYSA-N
XLogP0.57
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
The IUPAC name of 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide (CID 114387744) is 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide.
What is the SMILES notation for 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
The canonical SMILES for 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide is CC(C)(C)C(N)CC(=O)Nc1nccnn1.
What is the InChIKey of 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
The InChIKey is DABJEVWBNUVHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-10(2,3)7(11)6-8(16)14-9-12-4-5-13-15-9/h4-5,7H,6,11H2,1-3H3,(H,12,14,15,16).
What are the key properties of 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide has a molecular weight of 223.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide is sourced from PubChem (CID 114387744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).