7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C11H15ClN6 — CID 63587762

IUPAC7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nn(C)c(Cl)c1CN1CCn2cnnc2C1
InChIInChI=1S/C11H15ClN6/c1-8-9(11(12)16(2)15-8)5-17-3-4-18-7-13-14-10(18)6-17/h7H,3-6H2,1-2H3
InChIKeyBZLVTMIQJNOENF-UHFFFAOYSA-N
MW266.74 g/mol
LogP0.99
Rot. Bonds2

About 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 63587762) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID63587762
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCc1nn(C)c(Cl)c1CN1CCn2cnnc2C1
InChIInChI=1S/C11H15ClN6/c1-8-9(11(12)16(2)15-8)5-17-3-4-18-7-13-14-10(18)6-17/h7H,3-6H2,1-2H3
InChIKeyBZLVTMIQJNOENF-UHFFFAOYSA-N
XLogP0.99
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine
CID 64575255
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
7-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 53193668
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-methylaniline
CID 64576218
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
CID 51326192
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylbutan-1-amine
CID 64576410

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 63587762) is 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cc1nn(C)c(Cl)c1CN1CCn2cnnc2C1.
What is the InChIKey of 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is BZLVTMIQJNOENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-8-9(11(12)16(2)15-8)5-17-3-4-18-7-13-14-10(18)6-17/h7H,3-6H2,1-2H3.
What are the key properties of 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 266.74 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 63587762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).