4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C10H14N6O2 — CID 80865388

IUPAC4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOCCCOc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6O2/c1-17-6-3-7-18-10-14-8(11)13-9(15-10)16-5-2-4-12-16/h2,4-5H,3,6-7H2,1H3,(H2,11,13,14,15)
InChIKeyBBCMKDNPQYTAKA-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.05
Rot. Bonds6

About 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80865388) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80865388
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCOCCCOc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6O2/c1-17-6-3-7-18-10-14-8(11)13-9(15-10)16-5-2-4-12-16/h2,4-5H,3,6-7H2,1H3,(H2,11,13,14,15)
InChIKeyBBCMKDNPQYTAKA-UHFFFAOYSA-N
XLogP0.05
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-heptoxy-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80862326
4-(2-butoxyethoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80861779
2-chloro-4-[2-(3-methoxypropoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 103177489
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-pyrazol-1-yl-1,3,5-triazine
CID 104561391
4-imidazol-1-yl-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 103176493
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784918
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815256
4-butoxy-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80865516
4-imidazol-1-yl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104568284
4-chloro-N-(3-methoxypropyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62984785

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80865388) is 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is COCCCOc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BBCMKDNPQYTAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-17-6-3-7-18-10-14-8(11)13-9(15-10)16-5-2-4-12-16/h2,4-5H,3,6-7H2,1H3,(H2,11,13,14,15).
What are the key properties of 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 250.26 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).