4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C14H21ClN6 — CID 62862919

IUPAC4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCN(c1nc(Cl)nc(-n2cccn2)n1)C(C)C
InChIInChI=1S/C14H21ClN6/c1-4-5-6-9-20(11(2)3)13-17-12(15)18-14(19-13)21-10-7-8-16-21/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyWRKKBMWQUYGTPE-UHFFFAOYSA-N
MW308.82 g/mol
LogP3.12
Rot. Bonds7

About 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62862919) has the molecular formula C14H21ClN6 and a molecular weight of 308.82 g/mol. Its IUPAC name is 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62862919
Molecular FormulaC14H21ClN6
Molecular Weight308.82 g/mol
Exact Mass308.15
IUPAC Name4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCCCCN(c1nc(Cl)nc(-n2cccn2)n1)C(C)C
InChIInChI=1S/C14H21ClN6/c1-4-5-6-9-20(11(2)3)13-17-12(15)18-14(19-13)21-10-7-8-16-21/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyWRKKBMWQUYGTPE-UHFFFAOYSA-N
XLogP3.12
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62862919) is 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCCCCN(c1nc(Cl)nc(-n2cccn2)n1)C(C)C.
What is the InChIKey of 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WRKKBMWQUYGTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN6/c1-4-5-6-9-20(11(2)3)13-17-12(15)18-14(19-13)21-10-7-8-16-21/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 308.82 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentyl-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).