4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine

C10H13ClN6O — CID 106194334

IUPAC4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccn[nH]2)n1
InChIInChI=1S/C10H13ClN6O/c1-2-5-18-10-15-8(11)14-9(16-10)12-6-7-3-4-13-17-7/h3-4H,2,5-6H2,1H3,(H,13,17)(H,12,14,15,16)
InChIKeyBGVMPDQUMFEZNE-UHFFFAOYSA-N
MW268.71 g/mol
LogP1.65
Rot. Bonds6

About 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 106194334) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID106194334
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccn[nH]2)n1
InChIInChI=1S/C10H13ClN6O/c1-2-5-18-10-15-8(11)14-9(16-10)12-6-7-3-4-13-17-7/h3-4H,2,5-6H2,1H3,(H,13,17)(H,12,14,15,16)
InChIKeyBGVMPDQUMFEZNE-UHFFFAOYSA-N
XLogP1.65
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
6-chloro-2-N,2-N-diethyl-4-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 106194409
4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 55205368
4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864682
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-ethyl-6-octoxy-1,3,5-triazin-2-amine
CID 80862197
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106195557
4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79755619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine (CID 106194334) is 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCc2ccn[nH]2)n1.
What is the InChIKey of 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is BGVMPDQUMFEZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-2-5-18-10-15-8(11)14-9(16-10)12-6-7-3-4-13-17-7/h3-4H,2,5-6H2,1H3,(H,13,17)(H,12,14,15,16).
What are the key properties of 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 268.71 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106194334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).