4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C14H22N6O — CID 80843543

IUPAC4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)(C)CC)nc(-n2cccn2)n1
InChIInChI=1S/C14H22N6O/c1-5-8-15-11-17-12(20-10-7-9-16-20)19-13(18-11)21-14(3,4)6-2/h7,9-10H,5-6,8H2,1-4H3,(H,15,17,18,19)
InChIKeyMCENKAMNLHXJOD-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.45
Rot. Bonds7

About 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80843543) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80843543
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC(C)(C)CC)nc(-n2cccn2)n1
InChIInChI=1S/C14H22N6O/c1-5-8-15-11-17-12(20-10-7-9-16-20)19-13(18-11)21-14(3,4)6-2/h7,9-10H,5-6,8H2,1-4H3,(H,15,17,18,19)
InChIKeyMCENKAMNLHXJOD-UHFFFAOYSA-N
XLogP2.45
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(E)-but-2-enoxy]-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80873212
2-N-tert-butyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80767982
2-N-(cyclopropylmethyl)-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80769428
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
4-chloro-6-(2-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 80862183
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
4-(2-methylpropylsulfanyl)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892924
2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]ethanol
CID 80884988
N-ethyl-4-(2-propoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879870
methyl 2-[[4-(propylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]acetate
CID 80873622
N-methyl-4-propoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80853036
N-ethyl-4-(3-methylbutan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80882821

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80843543) is 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCNc1nc(OC(C)(C)CC)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is MCENKAMNLHXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-5-8-15-11-17-12(20-10-7-9-16-20)19-13(18-11)21-14(3,4)6-2/h7,9-10H,5-6,8H2,1-4H3,(H,15,17,18,19).
What are the key properties of 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yloxy)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80843543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).