4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 80840806

IUPAC4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(-n2cc(C)cn2)n1
InChIInChI=1S/C14H23N7/c1-5-8-15-12-17-13(20(6-2)7-3)19-14(18-12)21-10-11(4)9-16-21/h9-10H,5-8H2,1-4H3,(H,15,17,18,19)
InChIKeyYJOHDOIWXNAVLH-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.03
Rot. Bonds7

About 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80840806) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80840806
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(N(CC)CC)nc(-n2cc(C)cn2)n1
InChIInChI=1S/C14H23N7/c1-5-8-15-12-17-13(20(6-2)7-3)19-14(18-12)21-10-11(4)9-16-21/h9-10H,5-8H2,1-4H3,(H,15,17,18,19)
InChIKeyYJOHDOIWXNAVLH-UHFFFAOYSA-N
XLogP2.03
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-hydrazinyl-N,N-dimethyl-6-(4-methylpyrazol-1-yl)-1,3,5-triazin-2-amine
CID 80900827
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774325
4-N-methyl-4-N-propan-2-yl-2-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80764201
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
4-N,4-N-diethyl-2-N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117089217
2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774055
2-methyl-6-(4-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80852989
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
N-[[6-methyl-2-(4-methylpyrazol-1-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 114221125
2-N-ethyl-4-N,4-N-dimethyl-2-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 80774261

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine (CID 80840806) is 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(N(CC)CC)nc(-n2cc(C)cn2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YJOHDOIWXNAVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-5-8-15-12-17-13(20(6-2)7-3)19-14(18-12)21-10-11(4)9-16-21/h9-10H,5-8H2,1-4H3,(H,15,17,18,19).
What are the key properties of 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(4-methylpyrazol-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80840806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).