3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine

C11H19N7 — CID 66024821

IUPAC3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2ncn[nH]2)c1N
InChIInChI=1S/C11H19N7/c1-7(2)18-11(10(12)8(3)17-18)13-5-4-9-14-6-15-16-9/h6-7,13H,4-5,12H2,1-3H3,(H,14,15,16)
InChIKeyUVZKAOZXTKGULK-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.13
Rot. Bonds5

About 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine

3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine (PubChem CID 66024821) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine
PubChem CID66024821
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2ncn[nH]2)c1N
InChIInChI=1S/C11H19N7/c1-7(2)18-11(10(12)8(3)17-18)13-5-4-9-14-6-15-16-9/h6-7,13H,4-5,12H2,1-3H3,(H,14,15,16)
InChIKeyUVZKAOZXTKGULK-UHFFFAOYSA-N
XLogP1.13
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine (CID 66024821) is 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCCc2ncn[nH]2)c1N.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine?
The InChIKey is UVZKAOZXTKGULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7/c1-7(2)18-11(10(12)8(3)17-18)13-5-4-9-14-6-15-16-9/h6-7,13H,4-5,12H2,1-3H3,(H,14,15,16).
What are the key properties of 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine?
3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine has a molecular weight of 249.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66024821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).