6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C14H16FN9 — CID 38957547

IUPAC6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)n1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H16FN9/c1-8(11-17-13(16)19-14(18-11)23(2)3)24-21-12(20-22-24)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H2,16,17,18,19)/t8-/m0/s1
InChIKeyZDHAFPAHYMPQOE-QMMMGPOBSA-N
MW329.34 g/mol
LogP0.92
Rot. Bonds4

About 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 38957547) has the molecular formula C14H16FN9 and a molecular weight of 329.34 g/mol. Its IUPAC name is 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID38957547
Molecular FormulaC14H16FN9
Molecular Weight329.34 g/mol
Exact Mass329.15
IUPAC Name6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](c1nc(N)nc(N(C)C)n1)n1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C14H16FN9/c1-8(11-17-13(16)19-14(18-11)23(2)3)24-21-12(20-22-24)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H2,16,17,18,19)/t8-/m0/s1
InChIKeyZDHAFPAHYMPQOE-QMMMGPOBSA-N
XLogP0.92
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 38957547) is 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is C[C@@H](c1nc(N)nc(N(C)C)n1)n1nnc(-c2cccc(F)c2)n1.
What is the InChIKey of 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZDHAFPAHYMPQOE-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16FN9/c1-8(11-17-13(16)19-14(18-11)23(2)3)24-21-12(20-22-24)9-5-4-6-10(15)7-9/h4-8H,1-3H3,(H2,16,17,18,19)/t8-/m0/s1.
What are the key properties of 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 329.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[5-(3-fluorophenyl)tetrazol-2-yl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 38957547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).