3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine

C8H9ClN6 — CID 114999031

IUPAC3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine
SMILESClc1nncc(NCCn2cccn2)n1
InChIInChI=1S/C8H9ClN6/c9-8-13-7(6-11-14-8)10-3-5-15-4-1-2-12-15/h1-2,4,6H,3,5H2,(H,10,13,14)
InChIKeyMGZVZSLJPCPTTN-UHFFFAOYSA-N
MW224.66 g/mol
LogP0.83
Rot. Bonds4

About 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine

3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine (PubChem CID 114999031) has the molecular formula C8H9ClN6 and a molecular weight of 224.66 g/mol. Its IUPAC name is 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine
PubChem CID114999031
Molecular FormulaC8H9ClN6
Molecular Weight224.66 g/mol
Exact Mass224.06
IUPAC Name3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine
SMILESClc1nncc(NCCn2cccn2)n1
InChIInChI=1S/C8H9ClN6/c9-8-13-7(6-11-14-8)10-3-5-15-4-1-2-12-15/h1-2,4,6H,3,5H2,(H,10,13,14)
InChIKeyMGZVZSLJPCPTTN-UHFFFAOYSA-N
XLogP0.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69091994
4-N-methyl-2-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092378
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
1-Ethyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134133048
5-bromo-4-N-cyclopropyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467182
5-bromo-4-N-methyl-2-pyrazol-1-ylpyrimidine-4,6-diamine
CID 53467620
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
Pyrazolo[1,5-a]pyrimidin-2-amine
CID 45602167
Pyrazolo[1,5-a]pyrimidin-5-amine
CID 55285819
2-chloro-N-(1-propyltetrazol-5-yl)pyrimidin-4-amine
CID 168294048
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine (CID 114999031) is 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine is Clc1nncc(NCCn2cccn2)n1.
What is the InChIKey of 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine?
The InChIKey is MGZVZSLJPCPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN6/c9-8-13-7(6-11-14-8)10-3-5-15-4-1-2-12-15/h1-2,4,6H,3,5H2,(H,10,13,14).
What are the key properties of 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine?
3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine has a molecular weight of 224.66 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 114999031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).