N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine

C10H15N3 — CID 134128545

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine
SMILESCC(C)=Nc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H15N3/c1-7(2)11-10-8-5-3-4-6-9(8)12-13-10/h3-6H2,1-2H3,(H,12,13)
InChIKeyHWUQDCNZQROSCT-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.40
Rot. Bonds1

About N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine

N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine (PubChem CID 134128545) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine
PubChem CID134128545
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine
SMILESCC(C)=Nc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H15N3/c1-7(2)11-10-8-5-3-4-6-9(8)12-13-10/h3-6H2,1-2H3,(H,12,13)
InChIKeyHWUQDCNZQROSCT-UHFFFAOYSA-N
XLogP2.40
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 59820661
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
(1S)-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
CID 82414484
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azanium
CID 7236612
3-(2,2-dimethylpropyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole
CID 59453579
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
3-fluoro-1,4,5,6-tetrahydrocyclopenta[d]pyrazole
CID 163788791
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
CID 7236613
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110674214
N-tert-butyl-4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazol-3-amine
CID 63531625
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine (CID 134128545) is N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine is CC(C)=Nc1n[nH]c2c1CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine?
The InChIKey is HWUQDCNZQROSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)11-10-8-5-3-4-6-9(8)12-13-10/h3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine?
N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine has a molecular weight of 177.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-imine is sourced from PubChem (CID 134128545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).