5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine

C13H17ClN6O — CID 138008294

IUPAC5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine
SMILESClc1cncnc1NCCc1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C13H17ClN6O/c14-10-7-15-8-17-13(10)16-4-1-11-18-12(20-19-11)9-2-5-21-6-3-9/h7-9H,1-6H2,(H,15,16,17)(H,18,19,20)
InChIKeyWAAFNANQCNODCQ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.80
Rot. Bonds5

About 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine

5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine (PubChem CID 138008294) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine
PubChem CID138008294
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine
SMILESClc1cncnc1NCCc1nc(C2CCOCC2)n[nH]1
InChIInChI=1S/C13H17ClN6O/c14-10-7-15-8-17-13(10)16-4-1-11-18-12(20-19-11)9-2-5-21-6-3-9/h7-9H,1-6H2,(H,15,16,17)(H,18,19,20)
InChIKeyWAAFNANQCNODCQ-UHFFFAOYSA-N
XLogP1.80
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 146142708
5-chloro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 105369246
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]-4-methylaniline
CID 53264447
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
CID 130993170
3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105369598
5-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]-1,2-oxazol-3-one
CID 74238813
N-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropanamine
CID 61338146
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
3-[3-[(3S)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 124509391
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 105369215
8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine
CID 167819103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine (CID 138008294) is 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine is Clc1cncnc1NCCc1nc(C2CCOCC2)n[nH]1.
What is the InChIKey of 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine?
The InChIKey is WAAFNANQCNODCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c14-10-7-15-8-17-13(10)16-4-1-11-18-12(20-19-11)9-2-5-21-6-3-9/h7-9H,1-6H2,(H,15,16,17)(H,18,19,20).
What are the key properties of 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine?
5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine has a molecular weight of 308.77 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 138008294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).