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

C9H18N4 — CID 164534616

IUPACN,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen
SMILESCN(C)c1cc2n(n1)CCCNC2.[H][H]
InChIInChI=1S/C9H16N4.H2/c1-12(2)9-6-8-7-10-4-3-5-13(8)11-9;/h6,10H,3-5,7H2,1-2H3;1H
InChIKeyNFNGRRHBPLCXOO-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.69
Rot. Bonds1

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

N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen (PubChem CID 164534616) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen
PubChem CID164534616
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen
SMILESCN(C)c1cc2n(n1)CCCNC2.[H][H]
InChIInChI=1S/C9H16N4.H2/c1-12(2)9-6-8-7-10-4-3-5-13(8)11-9;/h6,10H,3-5,7H2,1-2H3;1H
InChIKeyNFNGRRHBPLCXOO-UHFFFAOYSA-N
XLogP0.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-Amino-N,N,3-trimethyl-1H-pyrazole-1-ethanamine
CID 2758501
4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 135294637
N1-(1,3-dimethyl-1H-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride
CID 91647558
1-(1,3-dimethyl-1H-pyrazol-5-yl)pyrrolidin-3-amine
CID 139022575
N,1,5-Trimethyl-1H-pyrazol-3-amine
CID 46863933
6-Azido-4-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepine
CID 151396471
3-fluoro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622237
5-{[(2,2-difluoroethyl)(methyl)amino]methyl}-1-methyl-1H-pyrazol-3-amine
CID 122171341
1-methyl-5-{[methyl(2,2,2-trifluoroethyl)amino]methyl}-1H-pyrazol-3-amine
CID 122171342
1-methyl-5-{[methyl(3,3,3-trifluoropropyl)amino]methyl}-1H-pyrazol-3-amine
CID 122171343
5-{[(2,2-difluoroethyl)(methyl)amino]methyl}-1-ethyl-1H-pyrazol-3-amine
CID 122171373
1-ethyl-5-{[methyl(2,2,2-trifluoroethyl)amino]methyl}-1H-pyrazol-3-amine
CID 122171374

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen?
The IUPAC name of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen (CID 164534616) is N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen.
What is the SMILES notation for N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen?
The canonical SMILES for N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen is CN(C)c1cc2n(n1)CCCNC2.[H][H].
What is the InChIKey of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen?
The InChIKey is NFNGRRHBPLCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.H2/c1-12(2)9-6-8-7-10-4-3-5-13(8)11-9;/h6,10H,3-5,7H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen?
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen has a molecular weight of 182.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine;molecular hydrogen is sourced from PubChem (CID 164534616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).