1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine

C10H17N7 — CID 107064883

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1nnn(C)n1
InChIInChI=1S/C10H17N7/c1-4-9-7(6-16(2)13-9)8(11)5-10-12-15-17(3)14-10/h6,8H,4-5,11H2,1-3H3
InChIKeyDQHPPOABXCJBOW-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.25
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107064883) has the molecular formula C10H17N7 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107064883
Molecular FormulaC10H17N7
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1nnn(C)n1
InChIInChI=1S/C10H17N7/c1-4-9-7(6-16(2)13-9)8(11)5-10-12-15-17(3)14-10/h6,8H,4-5,11H2,1-3H3
InChIKeyDQHPPOABXCJBOW-UHFFFAOYSA-N
XLogP-0.25
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine (CID 107064883) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine is CCc1nn(C)cc1C(N)Cc1nnn(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is DQHPPOABXCJBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7/c1-4-9-7(6-16(2)13-9)8(11)5-10-12-15-17(3)14-10/h6,8H,4-5,11H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107064883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).