6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine

C14H13N5 — CID 23311125

IUPAC6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc2ccccc2c1-c1nnc(N)nc1N
InChIInChI=1S/C14H13N5/c1-8-6-7-9-4-2-3-5-10(9)11(8)12-13(15)17-14(16)19-18-12/h2-7H,1H3,(H4,15,16,17,19)
InChIKeyYHARJJJFKXYPFR-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.16
Rot. Bonds1

About 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine

6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine (PubChem CID 23311125) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine
PubChem CID23311125
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine
SMILESCc1ccc2ccccc2c1-c1nnc(N)nc1N
InChIInChI=1S/C14H13N5/c1-8-6-7-9-4-2-3-5-10(9)11(8)12-13(15)17-14(16)19-18-12/h2-7H,1H3,(H4,15,16,17,19)
InChIKeyYHARJJJFKXYPFR-UHFFFAOYSA-N
XLogP2.16
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine (CID 23311125) is 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine is Cc1ccc2ccccc2c1-c1nnc(N)nc1N.
What is the InChIKey of 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine?
The InChIKey is YHARJJJFKXYPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-8-6-7-9-4-2-3-5-10(9)11(8)12-13(15)17-14(16)19-18-12/h2-7H,1H3,(H4,15,16,17,19).
What are the key properties of 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine?
6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylnaphthalen-1-yl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 23311125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).