6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H19N7 — CID 80868641

IUPAC6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C13H19N7/c1-4-14-11-15-12(19(2)3)17-13(16-11)20-8-7-10(18-20)9-5-6-9/h7-9H,4-6H2,1-3H3,(H,14,15,16,17)
InChIKeyGJBYYACDTYQLNN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.43
Rot. Bonds5

About 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80868641) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80868641
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(C)C)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C13H19N7/c1-4-14-11-15-12(19(2)3)17-13(16-11)20-8-7-10(18-20)9-5-6-9/h7-9H,4-6H2,1-3H3,(H,14,15,16,17)
InChIKeyGJBYYACDTYQLNN-UHFFFAOYSA-N
XLogP1.43
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 82752442
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
6-(3,4-dimethoxypyrrolidin-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 103542047
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80840951
2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80797993
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80793310
2-N-ethyl-6-(3-ethylmorpholin-4-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789841
2-N-ethyl-4-N-methyl-4-N-(oxolan-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 82751417
2-N-ethyl-4-N,4-N-dimethyl-6-(1-oxo-1,4-thiazinan-4-yl)-1,3,5-triazine-2,4-diamine
CID 80805026
6-(benzotriazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80840784
2-N-ethyl-4-N-methyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774484
4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
CID 80901888

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80868641) is 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N(C)C)nc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GJBYYACDTYQLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-4-14-11-15-12(19(2)3)17-13(16-11)20-8-7-10(18-20)9-5-6-9/h7-9H,4-6H2,1-3H3,(H,14,15,16,17).
What are the key properties of 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80868641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).