3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine

C8H14N4 — CID 164534905

IUPAC3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCc1c(N)nn2c1CNCCC2
InChIInChI=1S/C8H14N4/c1-6-7-5-10-3-2-4-12(7)11-8(6)9/h10H,2-5H2,1H3,(H2,9,11)
InChIKeySNPRDESYQWGDBE-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.27
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine

3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 164534905) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID164534905
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCc1c(N)nn2c1CNCCC2
InChIInChI=1S/C8H14N4/c1-6-7-5-10-3-2-4-12(7)11-8(6)9/h10H,2-5H2,1H3,(H2,9,11)
InChIKeySNPRDESYQWGDBE-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 135294637
1-Methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 82651144
1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-3-amine dihydrochloride
CID 121553157
3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622237
3-fluoro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 176890070
2(1,3,4-Trimethyl-5-pyrazolyl) amino-2-imidazoline
CID 57263850
1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 105429784
4,5-Dimethyl-1-propan-2-ylpyrazol-3-amine
CID 129086824
N-Methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-2-amine
CID 135294478
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen
CID 164534616
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 164534617
5-Methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 168156810

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 164534905) is 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is Cc1c(N)nn2c1CNCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is SNPRDESYQWGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-7-5-10-3-2-4-12(7)11-8(6)9/h10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 164534905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).