2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine

C12H20N8 — CID 80849924

IUPAC2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(Nc2cnn(C)c2)nc(N(C)C)n1
InChIInChI=1S/C12H20N8/c1-5-6-13-10-16-11(18-12(17-10)19(2)3)15-9-7-14-20(4)8-9/h7-8H,5-6H2,1-4H3,(H2,13,15,16,17,18)
InChIKeyAOMTVWGCSWNPER-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.24
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80849924) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80849924
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(Nc2cnn(C)c2)nc(N(C)C)n1
InChIInChI=1S/C12H20N8/c1-5-6-13-10-16-11(18-12(17-10)19(2)3)15-9-7-14-20(4)8-9/h7-8H,5-6H2,1-4H3,(H2,13,15,16,17,18)
InChIKeyAOMTVWGCSWNPER-UHFFFAOYSA-N
XLogP1.24
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80849924) is 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(Nc2cnn(C)c2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AOMTVWGCSWNPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-5-6-13-10-16-11(18-12(17-10)19(2)3)15-9-7-14-20(4)8-9/h7-8H,5-6H2,1-4H3,(H2,13,15,16,17,18).
What are the key properties of 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 276.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(1-methylpyrazol-4-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80849924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).