N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C14H17ClN6 — CID 63685729

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CC3CCC2C3)nc(-n2cccn2)n1
InChIInChI=1S/C14H17ClN6/c15-12-18-13(20-14(19-12)21-5-1-4-17-21)16-8-11-7-9-2-3-10(11)6-9/h1,4-5,9-11H,2-3,6-8H2,(H,16,18,19,20)
InChIKeyBXKFZFCIUNOWTM-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.56
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 63685729) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID63685729
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESClc1nc(NCC2CC3CCC2C3)nc(-n2cccn2)n1
InChIInChI=1S/C14H17ClN6/c15-12-18-13(20-14(19-12)21-5-1-4-17-21)16-8-11-7-9-2-3-10(11)6-9/h1,4-5,9-11H,2-3,6-8H2,(H,16,18,19,20)
InChIKeyBXKFZFCIUNOWTM-UHFFFAOYSA-N
XLogP2.56
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-6-pyrazol-1-yl-N-(thiolan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 107297723
4-chloro-N-(2-cyclohexylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62864407
4-chloro-N-(2-cyclopentyloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63834603
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115361922
4-chloro-N-[(1-methylcyclopentyl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63830003
2-N-(2-bicyclo[2.2.1]heptanyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80825648
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-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
CID 63687023
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
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279537

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 63685729) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Clc1nc(NCC2CC3CCC2C3)nc(-n2cccn2)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BXKFZFCIUNOWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c15-12-18-13(20-14(19-12)21-5-1-4-17-21)16-8-11-7-9-2-3-10(11)6-9/h1,4-5,9-11H,2-3,6-8H2,(H,16,18,19,20).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 304.79 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63685729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).