3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile

C10H7N5O — CID 135566553

IUPAC3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(-c2ncnc(N)n2)c1
InChIInChI=1S/C10H7N5O/c11-4-6-1-2-8(16)7(3-6)9-13-5-14-10(12)15-9/h1-3,5,16H,(H2,12,13,14,15)
InChIKeyATWKNNOBDMPYCY-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.70
Rot. Bonds1

About 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile

3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile (PubChem CID 135566553) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
PubChem CID135566553
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(-c2ncnc(N)n2)c1
InChIInChI=1S/C10H7N5O/c11-4-6-1-2-8(16)7(3-6)9-13-5-14-10(12)15-9/h1-3,5,16H,(H2,12,13,14,15)
InChIKeyATWKNNOBDMPYCY-UHFFFAOYSA-N
XLogP0.70
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
2-(4-Amino-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 853426
2-(4,6-Diamino-1,3,5-Triazin-2-Yl)-4-Fluorophenol
CID 135566557
2-[4-Methyl-6-(methylamino)-1,3,5-triazin-2-yl]phenol
CID 950458
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175
(6E)-2,4-ditert-butyl-6-(4,6-diamino-1H-s-triazin-2-ylidene)cyclohexa-2,4-dien-1-one
CID 135953403
4-(4,6-Diamino-1,3,5-triazin-2-YL)phenol
CID 4524718
2,2'-(6-Amino-1,3,5-triazine-2,4-diyl)diphenol
CID 777754
6-[4,6-Bis(dimethylamino)-1,3,5-triazin-2(1H)-ylidene]cyclohexa-2,4-dien-1-one
CID 135827477
Phenol, 2-(1,3,5-triazin-2-yl)-
CID 135828193
4-(2-Hydroxyphenyl)-1,3,5-triazin-2-amine
CID 136058318

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile?
The IUPAC name of 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile (CID 135566553) is 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile.
What is the SMILES notation for 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile?
The canonical SMILES for 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile is N#Cc1ccc(O)c(-c2ncnc(N)n2)c1.
What is the InChIKey of 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile?
The InChIKey is ATWKNNOBDMPYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c11-4-6-1-2-8(16)7(3-6)9-13-5-14-10(12)15-9/h1-3,5,16H,(H2,12,13,14,15).
What are the key properties of 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile?
3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile has a molecular weight of 213.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,3,5-triazin-2-yl)-4-hydroxybenzonitrile is sourced from PubChem (CID 135566553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).