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

C9H16N4 — CID 170622335

IUPACN,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1C)CNCCC2
InChIInChI=1S/C9H16N4/c1-7-8-6-11-4-3-5-13(8)12-9(7)10-2/h11H,3-6H2,1-2H3,(H,10,12)
InChIKeyAUPLHLDVNSNEQT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.73
Rot. Bonds1

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

N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (PubChem CID 170622335) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
PubChem CID170622335
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
SMILESCNc1nn2c(c1C)CNCCC2
InChIInChI=1S/C9H16N4/c1-7-8-6-11-4-3-5-13(8)12-9(7)10-2/h11H,3-6H2,1-2H3,(H,10,12)
InChIKeyAUPLHLDVNSNEQT-UHFFFAOYSA-N
XLogP0.73
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine with MolForge

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Related Compounds

4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 135294637
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
1-Ethyl-3-(ethylaminomethyl)pyrazole-4,5-diamine
CID 9794066
4-N-ethyl-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 23389110
2(1,3,4-Trimethyl-5-pyrazolyl) amino-2-imidazoline
CID 57263850
N-Methyl-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-2-amine
CID 135294478
Potassium;[1-(4-aminobutyl)-4-carbamimidoyl-3-methylpyrazol-5-yl]-methylazanide;ethane
CID 153358358
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
3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 164534905
3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 169126367

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The IUPAC name of N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine (CID 170622335) is N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine.
What is the SMILES notation for N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The canonical SMILES for N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is CNc1nn2c(c1C)CNCCC2.
What is the InChIKey of N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
The InChIKey is AUPLHLDVNSNEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-8-6-11-4-3-5-13(8)12-9(7)10-2/h11H,3-6H2,1-2H3,(H,10,12).
What are the key properties of N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine?
N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine has a molecular weight of 180.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine is sourced from PubChem (CID 170622335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).