N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

C15H14N8 — CID 40792426

IUPACN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCn1ccnc1[C@H](Nc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C15H14N8/c1-22-10-9-16-15(22)14(11-5-3-2-4-6-11)17-12-7-8-13-18-20-21-23(13)19-12/h2-10,14H,1H3,(H,17,19)/t14-/m1/s1
InChIKeySOVFFYUZJRJIFB-CQSZACIVSA-N
MW306.33 g/mol
LogP1.45
Rot. Bonds4

About N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 40792426) has the molecular formula C15H14N8 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID40792426
Molecular FormulaC15H14N8
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC NameN-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCn1ccnc1[C@H](Nc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C15H14N8/c1-22-10-9-16-15(22)14(11-5-3-2-4-6-11)17-12-7-8-13-18-20-21-23(13)19-12/h2-10,14H,1H3,(H,17,19)/t14-/m1/s1
InChIKeySOVFFYUZJRJIFB-CQSZACIVSA-N
XLogP1.45
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 40939556
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
N-[(1-methylimidazol-2-yl)-phenylmethyl]quinazolin-4-amine
CID 24541708
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]thieno[3,2-d]pyrimidin-4-amine
CID 40789664
2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 31080245
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166349121
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444
N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 133394862
triethyl-[(1-methylimidazol-2-yl)-phenylmethoxy]silane
CID 102165928
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylquinazolin-4-amine
CID 24541703

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 40792426) is N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is Cn1ccnc1[C@H](Nc1ccc2nnnn2n1)c1ccccc1.
What is the InChIKey of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is SOVFFYUZJRJIFB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N8/c1-22-10-9-16-15(22)14(11-5-3-2-4-6-11)17-12-7-8-13-18-20-21-23(13)19-12/h2-10,14H,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 306.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 40792426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).