4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine

C10H17N9 — CID 652104

IUPAC4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(N(C)n2cnnc2)n1
InChIInChI=1S/C10H17N9/c1-4-11-8-15-9(12-5-2)17-10(16-8)18(3)19-6-13-14-7-19/h6-7H,4-5H2,1-3H3,(H2,11,12,15,16,17)
InChIKeyWHVOQZNFCCJTJD-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.23
Rot. Bonds6

About 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 652104) has the molecular formula C10H17N9 and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID652104
Molecular FormulaC10H17N9
Molecular Weight263.31 g/mol
Exact Mass263.16
IUPAC Name4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC)nc(N(C)n2cnnc2)n1
InChIInChI=1S/C10H17N9/c1-4-11-8-15-9(12-5-2)17-10(16-8)18(3)19-6-13-14-7-19/h6-7H,4-5H2,1-3H3,(H2,11,12,15,16,17)
InChIKeyWHVOQZNFCCJTJD-UHFFFAOYSA-N
XLogP0.23
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 652104) is 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC)nc(N(C)n2cnnc2)n1.
What is the InChIKey of 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WHVOQZNFCCJTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N9/c1-4-11-8-15-9(12-5-2)17-10(16-8)18(3)19-6-13-14-7-19/h6-7H,4-5H2,1-3H3,(H2,11,12,15,16,17).
What are the key properties of 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 263.31 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-2-N-methyl-2-N-(1,2,4-triazol-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 652104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).