N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine

C17H23N7 — CID 92734456

IUPACN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine
SMILESC[C@@H]1CCCCN1CCCNc1nn2nnnc2c2ccccc12
InChIInChI=1S/C17H23N7/c1-13-7-4-5-11-23(13)12-6-10-18-16-14-8-2-3-9-15(14)17-19-21-22-24(17)20-16/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyXVSYJGOQXPWQTI-CYBMUJFWSA-N
MW325.42 g/mol
LogP2.35
Rot. Bonds5

About N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine

N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine (PubChem CID 92734456) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine.

Molecular Properties

Compound NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine
PubChem CID92734456
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC NameN-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine
SMILESC[C@@H]1CCCCN1CCCNc1nn2nnnc2c2ccccc12
InChIInChI=1S/C17H23N7/c1-13-7-4-5-11-23(13)12-6-10-18-16-14-8-2-3-9-15(14)17-19-21-22-24(17)20-16/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyXVSYJGOQXPWQTI-CYBMUJFWSA-N
XLogP2.35
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]-1H-indazol-3-amine
CID 3068040
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine
CID 31581585
N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 62483663
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163
3-cyclopropyl-N-[3-(2-methylpiperidin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 133478440
4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407759
N-[3-(2-methylpiperidin-1-yl)propyl]-2-nitroaniline
CID 43080890
5-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridazin-3-amine
CID 106549461
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 92667476
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
5-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-4-amine
CID 66340980
3,5-difluoro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 112675563

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine?
The IUPAC name of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine (CID 92734456) is N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine.
What is the SMILES notation for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine?
The canonical SMILES for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine is C[C@@H]1CCCCN1CCCNc1nn2nnnc2c2ccccc12.
What is the InChIKey of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine?
The InChIKey is XVSYJGOQXPWQTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N7/c1-13-7-4-5-11-23(13)12-6-10-18-16-14-8-2-3-9-15(14)17-19-21-22-24(17)20-16/h2-3,8-9,13H,4-7,10-12H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine?
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine has a molecular weight of 325.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]tetrazolo[5,1-a]phthalazin-6-amine is sourced from PubChem (CID 92734456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).