N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C17H22N10 — CID 113258988

IUPACN-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCCN(Cc3ccccc3)C2)nc(-n2cncn2)n1
InChIInChI=1S/C17H22N10/c18-25-16-22-15(23-17(24-16)27-12-19-11-20-27)21-14-7-4-8-26(10-14)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10,18H2,(H2,21,22,23,24,25)
InChIKeyOWYZVWYPCMHCNJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.81
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 113258988) has the molecular formula C17H22N10 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID113258988
Molecular FormulaC17H22N10
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNNc1nc(NC2CCCN(Cc3ccccc3)C2)nc(-n2cncn2)n1
InChIInChI=1S/C17H22N10/c18-25-16-22-15(23-17(24-16)27-12-19-11-20-27)21-14-7-4-8-26(10-14)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10,18H2,(H2,21,22,23,24,25)
InChIKeyOWYZVWYPCMHCNJ-UHFFFAOYSA-N
XLogP0.81
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-cyclobutyl-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80918885
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
N-[(3S)-1-benzylpiperidin-3-yl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide
CID 126442251
4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864589
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
CID 66342377
4-(azepan-1-yl)-N-(1-benzylpiperidin-3-yl)quinazolin-2-amine
CID 77215106
N-(1-benzylpiperidin-3-yl)-5-chloropyrimidin-4-amine
CID 105369461
4-chloro-N-cyclohexyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869193
2-N-cycloheptyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772602
N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80906636
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 113258988) is N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is NNc1nc(NC2CCCN(Cc3ccccc3)C2)nc(-n2cncn2)n1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is OWYZVWYPCMHCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N10/c18-25-16-22-15(23-17(24-16)27-12-19-11-20-27)21-14-7-4-8-26(10-14)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10,18H2,(H2,21,22,23,24,25).
What are the key properties of N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 113258988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).