4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

C12H21N7 — CID 1472727

IUPAC4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCN(C)C
InChIInChI=1S/C12H21N7/c1-9-15-16-12(10-8-14-18(4)11(10)13)19(9)7-5-6-17(2)3/h8H,5-7,13H2,1-4H3
InChIKeyREAGPEWTSVOCDD-UHFFFAOYSA-N
MW263.35 g/mol
LogP0.52
Rot. Bonds5

About 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine

4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (PubChem CID 1472727) has the molecular formula C12H21N7 and a molecular weight of 263.35 g/mol. Its IUPAC name is 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
PubChem CID1472727
Molecular FormulaC12H21N7
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1CCCN(C)C
InChIInChI=1S/C12H21N7/c1-9-15-16-12(10-8-14-18(4)11(10)13)19(9)7-5-6-17(2)3/h8H,5-7,13H2,1-4H3
InChIKeyREAGPEWTSVOCDD-UHFFFAOYSA-N
XLogP0.52
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine (CID 1472727) is 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is Cc1nnc(-c2cnn(C)c2N)n1CCCN(C)C.
What is the InChIKey of 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is REAGPEWTSVOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7/c1-9-15-16-12(10-8-14-18(4)11(10)13)19(9)7-5-6-17(2)3/h8H,5-7,13H2,1-4H3.
What are the key properties of 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine?
4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 263.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(dimethylamino)propyl]-5-methyl-1,2,4-triazol-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 1472727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).