N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine

C18H20N8 — CID 126917165

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESc1cnn(-c2cncc(NCC3CN(c4ccc(C5CC5)nn4)C3)n2)c1
InChIInChI=1S/C18H20N8/c1-6-21-26(7-1)18-10-19-9-16(22-18)20-8-13-11-25(12-13)17-5-4-15(23-24-17)14-2-3-14/h1,4-7,9-10,13-14H,2-3,8,11-12H2,(H,20,22)
InChIKeyXZZMWKCAKSJZHB-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.88
Rot. Bonds6

About N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine (PubChem CID 126917165) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
PubChem CID126917165
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESc1cnn(-c2cncc(NCC3CN(c4ccc(C5CC5)nn4)C3)n2)c1
InChIInChI=1S/C18H20N8/c1-6-21-26(7-1)18-10-19-9-16(22-18)20-8-13-11-25(12-13)17-5-4-15(23-24-17)14-2-3-14/h1,4-7,9-10,13-14H,2-3,8,11-12H2,(H,20,22)
InChIKeyXZZMWKCAKSJZHB-UHFFFAOYSA-N
XLogP1.88
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-pyrazol-1-yl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920140
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 126917112
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 126917193
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 126917048
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126917195
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137077547
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 126917143
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126916983
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126917215
6-(3-cyclopropylpyrazol-1-yl)-N-methylpyrazin-2-amine
CID 80868478
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 47054208

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine (CID 126917165) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine is c1cnn(-c2cncc(NCC3CN(c4ccc(C5CC5)nn4)C3)n2)c1.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is XZZMWKCAKSJZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-6-21-26(7-1)18-10-19-9-16(22-18)20-8-13-11-25(12-13)17-5-4-15(23-24-17)14-2-3-14/h1,4-7,9-10,13-14H,2-3,8,11-12H2,(H,20,22).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 348.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 126917165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).