4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H15ClN6 — CID 114101578

IUPAC4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1(CNc2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C12H15ClN6/c1-2-12(4-5-12)8-14-10-16-9(13)17-11(18-10)19-7-3-6-15-19/h3,6-7H,2,4-5,8H2,1H3,(H,14,16,17,18)
InChIKeyGNIVRIFCSBGACZ-UHFFFAOYSA-N
MW278.75 g/mol
LogP2.31
Rot. Bonds5

About 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 114101578) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID114101578
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC1(CNc2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C12H15ClN6/c1-2-12(4-5-12)8-14-10-16-9(13)17-11(18-10)19-7-3-6-15-19/h3,6-7H,2,4-5,8H2,1H3,(H,14,16,17,18)
InChIKeyGNIVRIFCSBGACZ-UHFFFAOYSA-N
XLogP2.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63830003
1-N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62863808
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863010
4-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62863763
4-chloro-N-(4-methylpentyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63003609
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869545
4-chloro-N-(3-methylsulfanylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113494206
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propylacetamide
CID 62863526
[1-[[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 113313366
4-chloro-N-(3-methoxy-2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 55124960
4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62864407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 114101578) is 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCC1(CNc2nc(Cl)nc(-n3cccn3)n2)CC1.
What is the InChIKey of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is GNIVRIFCSBGACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-2-12(4-5-12)8-14-10-16-9(13)17-11(18-10)19-7-3-6-15-19/h3,6-7H,2,4-5,8H2,1H3,(H,14,16,17,18).
What are the key properties of 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 278.75 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114101578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).