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

C11H19N5O — CID 107472796

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-11(2,3)6-8(7-12)9(17)15-10-13-4-5-14-16-10/h4-5,8H,6-7,12H2,1-3H3,(H,13,15,16,17)
InChIKeyIIZZBIPTYJDBRM-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.82
Rot. Bonds4

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

2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide (PubChem CID 107472796) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
PubChem CID107472796
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1nccnn1
InChIInChI=1S/C11H19N5O/c1-11(2,3)6-8(7-12)9(17)15-10-13-4-5-14-16-10/h4-5,8H,6-7,12H2,1-3H3,(H,13,15,16,17)
InChIKeyIIZZBIPTYJDBRM-UHFFFAOYSA-N
XLogP0.82
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide (CID 107472796) is 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide is CC(C)(C)CC(CN)C(=O)Nc1nccnn1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
The InChIKey is IIZZBIPTYJDBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(2,3)6-8(7-12)9(17)15-10-13-4-5-14-16-10/h4-5,8H,6-7,12H2,1-3H3,(H,13,15,16,17).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide has a molecular weight of 237.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1,2,4-triazin-3-yl)pentanamide is sourced from PubChem (CID 107472796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).