2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine

C8H14N4 — CID 155145788

IUPAC2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine
SMILESCn1cc2c(n1)CCC(N)CN2
InChIInChI=1S/C8H14N4/c1-12-5-8-7(11-12)3-2-6(9)4-10-8/h5-6,10H,2-4,9H2,1H3
InChIKeyCSFAPHUQEIEIQI-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.11
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine

2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine (PubChem CID 155145788) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine
PubChem CID155145788
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine
SMILESCn1cc2c(n1)CCC(N)CN2
InChIInChI=1S/C8H14N4/c1-12-5-8-7(11-12)3-2-6(9)4-10-8/h5-6,10H,2-4,9H2,1H3
InChIKeyCSFAPHUQEIEIQI-UHFFFAOYSA-N
XLogP0.11
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine (CID 155145788) is 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine is Cn1cc2c(n1)CCC(N)CN2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine?
The InChIKey is CSFAPHUQEIEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-5-8-7(11-12)3-2-6(9)4-10-8/h5-6,10H,2-4,9H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine?
2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine has a molecular weight of 166.23 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-b]azepin-6-amine is sourced from PubChem (CID 155145788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).