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

C8H14N4 — CID 135294478

IUPACN-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1cc2n(n1)CCCNC2
InChIInChI=1S/C8H14N4/c1-9-8-5-7-6-10-3-2-4-12(7)11-8/h5,10H,2-4,6H2,1H3,(H,9,11)
InChIKeyRBEIAOBSJZUGOE-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.42
Rot. Bonds1

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

N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 135294478) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound NameN-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID135294478
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1cc2n(n1)CCCNC2
InChIInChI=1S/C8H14N4/c1-9-8-5-7-6-10-3-2-4-12(7)11-8/h5,10H,2-4,6H2,1H3,(H,9,11)
InChIKeyRBEIAOBSJZUGOE-UHFFFAOYSA-N
XLogP0.42
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
5-Amino-N,N,3-trimethyl-1H-pyrazole-1-ethanamine
CID 2758501
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
1-Sec-Butyl-3-Methyl-1H-Pyrazol-5-Amine
CID 19619868
4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-amine
CID 84648343
4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 135294637
1-(butan-2-yl)-5-methyl-1H-pyrazol-3-amine
CID 19619852
N1-(1,3-dimethyl-1H-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride
CID 91647558
N,1,5-Trimethyl-1H-pyrazol-3-amine
CID 46863933
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 135294478) is N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is CNc1cc2n(n1)CCCNC2.
What is the InChIKey of N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is RBEIAOBSJZUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-9-8-5-7-6-10-3-2-4-12(7)11-8/h5,10H,2-4,6H2,1H3,(H,9,11).
What are the key properties of N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
N-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 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 135294478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).