2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 80819898

IUPAC2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C(C)(C)CC)nc(-n2cccn2)n1
InChIInChI=1S/C14H23N7/c1-6-14(3,4)20(5)12-17-11(15-7-2)18-13(19-12)21-10-8-9-16-21/h8-10H,6-7H2,1-5H3,(H,15,17,18,19)
InChIKeyNHNRHWPKPXCFLX-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.11
Rot. Bonds6

About 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80819898) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80819898
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C(C)(C)CC)nc(-n2cccn2)n1
InChIInChI=1S/C14H23N7/c1-6-14(3,4)20(5)12-17-11(15-7-2)18-13(19-12)21-10-8-9-16-21/h8-10H,6-7H2,1-5H3,(H,15,17,18,19)
InChIKeyNHNRHWPKPXCFLX-UHFFFAOYSA-N
XLogP2.11
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
2-N-ethyl-4-N-methyl-4-N-(3-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80780583
2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774055
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977
N-(2,2-dimethylpropyl)-4-hydrazinyl-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80904002
2-N-(2-cyclopropylethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846875
1-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80780224
2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
4-[3-(dimethylamino)propoxy]-N-ethyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80879429
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
N-ethyl-4-pyrazol-1-yl-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888457
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894041

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80819898) is 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(N(C)C(C)(C)CC)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NHNRHWPKPXCFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-6-14(3,4)20(5)12-17-11(15-7-2)18-13(19-12)21-10-8-9-16-21/h8-10H,6-7H2,1-5H3,(H,15,17,18,19).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(2-methylbutan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80819898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).