N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide

C15H27N7O3 — CID 85087630

IUPACN-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C15H27N7O3/c1-4-5-6-7-11(8-22(25)9-23)13(24)20-21-15-18-12(10(2)3)17-14(16)19-15/h9-11,25H,4-8H2,1-3H3,(H,20,24)(H3,16,17,18,19,21)
InChIKeyVJAIJJWXVJWGAQ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.06
Rot. Bonds11

About N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide

N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (PubChem CID 85087630) has the molecular formula C15H27N7O3 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
PubChem CID85087630
Molecular FormulaC15H27N7O3
Molecular Weight353.43 g/mol
Exact Mass353.22
IUPAC NameN-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C15H27N7O3/c1-4-5-6-7-11(8-22(25)9-23)13(24)20-21-15-18-12(10(2)3)17-14(16)19-15/h9-11,25H,4-8H2,1-3H3,(H,20,24)(H3,16,17,18,19,21)
InChIKeyVJAIJJWXVJWGAQ-UHFFFAOYSA-N
XLogP1.06
TPSA146.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide (CID 85087630) is N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is CCCCCC(CN(O)C=O)C(=O)NNc1nc(N)nc(C(C)C)n1.
What is the InChIKey of N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
The InChIKey is VJAIJJWXVJWGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O3/c1-4-5-6-7-11(8-22(25)9-23)13(24)20-21-15-18-12(10(2)3)17-14(16)19-15/h9-11,25H,4-8H2,1-3H3,(H,20,24)(H3,16,17,18,19,21).
What are the key properties of N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide?
N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide has a molecular weight of 353.43 g/mol, XLogP of 1.06, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-amino-6-propan-2-yl-1,3,5-triazin-2-yl)amino]carbamoyl]heptyl]-N-hydroxyformamide is sourced from PubChem (CID 85087630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).