2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine

C14H17N9 — CID 38870062

IUPAC2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nnn(Cc3nc(N)nc(N(C)C)n3)n2)cc1
InChIInChI=1S/C14H17N9/c1-9-4-6-10(7-5-9)12-19-21-23(20-12)8-11-16-13(15)18-14(17-11)22(2)3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyCHXNJJLMQZYPQI-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.53
Rot. Bonds4

About 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 38870062) has the molecular formula C14H17N9 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID38870062
Molecular FormulaC14H17N9
Molecular Weight311.35 g/mol
Exact Mass311.16
IUPAC Name2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(-c2nnn(Cc3nc(N)nc(N(C)C)n3)n2)cc1
InChIInChI=1S/C14H17N9/c1-9-4-6-10(7-5-9)12-19-21-23(20-12)8-11-16-13(15)18-14(17-11)22(2)3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyCHXNJJLMQZYPQI-UHFFFAOYSA-N
XLogP0.53
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 38870062) is 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine is Cc1ccc(-c2nnn(Cc3nc(N)nc(N(C)C)n3)n2)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CHXNJJLMQZYPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9/c1-9-4-6-10(7-5-9)12-19-21-23(20-12)8-11-16-13(15)18-14(17-11)22(2)3/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 311.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 38870062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).