N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C16H25N5S — CID 160946746

IUPACN-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(NCC2CCCCC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C16H25N5S/c1-11(2)13-10-18-21-14(13)19-16(22-3)20-15(21)17-9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,17,19,20)
InChIKeyPLRVZWLKQDJHEW-UHFFFAOYSA-N
MW319.48 g/mol
LogP3.96
Rot. Bonds5

About N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 160946746) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID160946746
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC NameN-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(NCC2CCCCC2)n2ncc(C(C)C)c2n1
InChIInChI=1S/C16H25N5S/c1-11(2)13-10-18-21-14(13)19-16(22-3)20-15(21)17-9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,17,19,20)
InChIKeyPLRVZWLKQDJHEW-UHFFFAOYSA-N
XLogP3.96
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 160946745
4-chloro-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;(4-methylcyclohexyl)methanamine
CID 167551372
2-N-(oxan-4-yl)-4-N-(piperidin-4-ylmethyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 122517837
benzyl 4-[[(2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 170358386
N-[[3-(cycloheptylmethyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 159180690
2-methylsulfanyl-N-[[2-[5-[2-methylsulfanyl-4-[(2-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]hexan-2-yloxy]phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123629467
4-N-(cyclobutylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80782716
N-[(4-bromophenyl)methyl]-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N,2-N-dimethyl-8-propan-2-yl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-methylsulfanyl-8-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;pyridine
CID 158018356
4-chloro-8-hexan-2-yl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
CID 147085250
N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine
CID 167281211
N-cyclopropyl-4,8-di(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-amine
CID 156513284
8-[[[2-(4-aminopiperidin-1-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]quinolin-2-amine
CID 146188009

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 160946746) is N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CSc1nc(NCC2CCCCC2)n2ncc(C(C)C)c2n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is PLRVZWLKQDJHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5S/c1-11(2)13-10-18-21-14(13)19-16(22-3)20-15(21)17-9-12-7-5-4-6-8-12/h10-12H,4-9H2,1-3H3,(H,17,19,20).
What are the key properties of N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 319.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 160946746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).