5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H14ClN7 — CID 106194823

IUPAC5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1[nH]ncc1CCCNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H14ClN7/c1-8-9(6-16-19-8)3-2-4-14-11-5-10(13)18-12-15-7-17-20(11)12/h5-7,14H,2-4H2,1H3,(H,16,19)
InChIKeyJUWVJBWPRPYNDX-UHFFFAOYSA-N
MW291.75 g/mol
LogP1.85
Rot. Bonds5

About 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 106194823) has the molecular formula C12H14ClN7 and a molecular weight of 291.75 g/mol. Its IUPAC name is 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID106194823
Molecular FormulaC12H14ClN7
Molecular Weight291.75 g/mol
Exact Mass291.10
IUPAC Name5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1[nH]ncc1CCCNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H14ClN7/c1-8-9(6-16-19-8)3-2-4-14-11-5-10(13)18-12-15-7-17-20(11)12/h5-7,14H,2-4H2,1H3,(H,16,19)
InChIKeyJUWVJBWPRPYNDX-UHFFFAOYSA-N
XLogP1.85
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114186751
N-[3-(2,4-dichlorophenyl)propyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133356087
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfanylpyrimidin-4-amine
CID 114156690
5-chloro-N-(3-phenoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918753
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918251
N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194022
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919006
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 106194823) is 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1[nH]ncc1CCCNc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JUWVJBWPRPYNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN7/c1-8-9(6-16-19-8)3-2-4-14-11-5-10(13)18-12-15-7-17-20(11)12/h5-7,14H,2-4H2,1H3,(H,16,19).
What are the key properties of 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 291.75 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 106194823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).