6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine

C10H12ClN5 — CID 104925117

IUPAC6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCn1ccc(CNc2cc(N)cc(Cl)n2)n1
InChIInChI=1S/C10H12ClN5/c1-16-3-2-8(15-16)6-13-10-5-7(12)4-9(11)14-10/h2-5H,6H2,1H3,(H3,12,13,14)
InChIKeyWSMKYCRDJHOBLZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.66
Rot. Bonds3

About 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine

6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine (PubChem CID 104925117) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
PubChem CID104925117
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine
SMILESCn1ccc(CNc2cc(N)cc(Cl)n2)n1
InChIInChI=1S/C10H12ClN5/c1-16-3-2-8(15-16)6-13-10-5-7(12)4-9(11)14-10/h2-5H,6H2,1H3,(H3,12,13,14)
InChIKeyWSMKYCRDJHOBLZ-UHFFFAOYSA-N
XLogP1.66
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562824
6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
CID 104923669
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
CID 104924020
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrimidin-4-amine
CID 82874984
2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
CID 146020711
4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 82874162
3,5,6-trichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 102751690
2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82874567

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine (CID 104925117) is 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine is Cn1ccc(CNc2cc(N)cc(Cl)n2)n1.
What is the InChIKey of 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
The InChIKey is WSMKYCRDJHOBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-3-2-8(15-16)6-13-10-5-7(12)4-9(11)14-10/h2-5H,6H2,1H3,(H3,12,13,14).
What are the key properties of 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine?
6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine has a molecular weight of 237.69 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2,4-diamine is sourced from PubChem (CID 104925117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).