(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium

C18H32N7O3+ — CID 91523949

IUPAC(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncnc([N@+](C)(CC)C2CC2)n1
InChIInChI=1S/C18H31N7O3/c1-4-6-7-8-14(11-24(28)13-26)16(27)22-23-17-19-12-20-18(21-17)25(3,5-2)15-9-10-15/h12-15,28H,4-11H2,1-3H3,(H-,19,20,21,22,23,27)/p+1/t14?,25-/m1/s1
InChIKeyPTIJPVKVZRHZCL-GCMQXMDSSA-O
MW394.50 g/mol
LogP1.48
Rot. Bonds13

About (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium

(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium (PubChem CID 91523949) has the molecular formula C18H32N7O3+ and a molecular weight of 394.50 g/mol. Its IUPAC name is (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium.

Molecular Properties

Compound Name(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium
PubChem CID91523949
Molecular FormulaC18H32N7O3+
Molecular Weight394.50 g/mol
Exact Mass394.26
IUPAC Name(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium
SMILESCCCCCC(CN(O)C=O)C(=O)NNc1ncnc([N@+](C)(CC)C2CC2)n1
InChIInChI=1S/C18H31N7O3/c1-4-6-7-8-14(11-24(28)13-26)16(27)22-23-17-19-12-20-18(21-17)25(3,5-2)15-9-10-15/h12-15,28H,4-11H2,1-3H3,(H-,19,20,21,22,23,27)/p+1/t14?,25-/m1/s1
InChIKeyPTIJPVKVZRHZCL-GCMQXMDSSA-O
XLogP1.48
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium?
The IUPAC name of (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium (CID 91523949) is (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium.
What is the SMILES notation for (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium?
The canonical SMILES for (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium is CCCCCC(CN(O)C=O)C(=O)NNc1ncnc([N@+](C)(CC)C2CC2)n1.
What is the InChIKey of (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium?
The InChIKey is PTIJPVKVZRHZCL-GCMQXMDSSA-O. The full InChI is InChI=1S/C18H31N7O3/c1-4-6-7-8-14(11-24(28)13-26)16(27)22-23-17-19-12-20-18(21-17)25(3,5-2)15-9-10-15/h12-15,28H,4-11H2,1-3H3,(H-,19,20,21,22,23,27)/p+1/t14?,25-/m1/s1.
What are the key properties of (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium?
(R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium has a molecular weight of 394.50 g/mol, XLogP of 1.48, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-ethyl-[4-[2-[2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-1,3,5-triazin-2-yl]-methylazanium is sourced from PubChem (CID 91523949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).