6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine

C9H12ClN7 — CID 80849615

IUPAC6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2ccn(C)n2)n1
InChIInChI=1S/C9H12ClN7/c1-3-11-8-13-7(10)14-9(15-8)12-6-4-5-17(2)16-6/h4-5H,3H2,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyCJNVKMXGCWQMJZ-UHFFFAOYSA-N
MW253.70 g/mol
LogP1.43
Rot. Bonds4

About 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80849615) has the molecular formula C9H12ClN7 and a molecular weight of 253.70 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80849615
Molecular FormulaC9H12ClN7
Molecular Weight253.70 g/mol
Exact Mass253.08
IUPAC Name6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(Nc2ccn(C)n2)n1
InChIInChI=1S/C9H12ClN7/c1-3-11-8-13-7(10)14-9(15-8)12-6-4-5-17(2)16-6/h4-5H,3H2,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyCJNVKMXGCWQMJZ-UHFFFAOYSA-N
XLogP1.43
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(1-methylpyrazol-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79778687
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
2-N-(1-methylpyrazol-3-yl)-6-propan-2-yloxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836931
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
4-chloro-N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 146569746
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107604501
6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759661
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
N-(1-methylpyrazol-3-yl)pyrimidin-2-amine
CID 112723681

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine (CID 80849615) is 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(Nc2ccn(C)n2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CJNVKMXGCWQMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN7/c1-3-11-8-13-7(10)14-9(15-8)12-6-4-5-17(2)16-6/h4-5H,3H2,1-2H3,(H2,11,12,13,14,15,16).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.70 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(1-methylpyrazol-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).