4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C9H8ClN5O — CID 106470587

IUPAC4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(-c2ncn[nH]2)nc2c1COCC2
InChIInChI=1S/C9H8ClN5O/c10-7-5-3-16-2-1-6(5)13-9(14-7)8-11-4-12-15-8/h4H,1-3H2,(H,11,12,15)
InChIKeyQMUIXLXYIFFMII-UHFFFAOYSA-N
MW237.65 g/mol
LogP0.99
Rot. Bonds1

About 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 106470587) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID106470587
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1nc(-c2ncn[nH]2)nc2c1COCC2
InChIInChI=1S/C9H8ClN5O/c10-7-5-3-16-2-1-6(5)13-9(14-7)8-11-4-12-15-8/h4H,1-3H2,(H,11,12,15)
InChIKeyQMUIXLXYIFFMII-UHFFFAOYSA-N
XLogP0.99
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-2-pyrimidin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470646
4-chloro-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470826
4,6-dichloro-5-fluoro-2-(1H-1,2,4-triazol-5-yl)pyrimidine
CID 80550229
4-chloro-2-(2,4-dichlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470760
4-chloro-2-(4-ethoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470799
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470756
4-chloro-2-quinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470805
4,6-dichloro-5-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)pyrimidine
CID 63611997
4-chloro-2-quinolin-2-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470570
4-chloro-2-(4-ethylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106847815
4-chloro-2-isoquinolin-4-yl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470837
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 106470587) is 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1nc(-c2ncn[nH]2)nc2c1COCC2.
What is the InChIKey of 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is QMUIXLXYIFFMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-7-5-3-16-2-1-6(5)13-9(14-7)8-11-4-12-15-8/h4H,1-3H2,(H,11,12,15).
What are the key properties of 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 237.65 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1H-1,2,4-triazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 106470587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).