N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine

C14H19N5 — CID 116971123

IUPACN-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine
SMILESc1c[nH]c(-c2ccc(NCC3CCNCC3)nn2)c1
InChIInChI=1S/C14H19N5/c1-2-12(16-7-1)13-3-4-14(19-18-13)17-10-11-5-8-15-9-6-11/h1-4,7,11,15-16H,5-6,8-10H2,(H,17,19)
InChIKeyVRFJPGUFWAOWOF-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.88
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine

N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine (PubChem CID 116971123) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine
PubChem CID116971123
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine
SMILESc1c[nH]c(-c2ccc(NCC3CCNCC3)nn2)c1
InChIInChI=1S/C14H19N5/c1-2-12(16-7-1)13-3-4-14(19-18-13)17-10-11-5-8-15-9-6-11/h1-4,7,11,15-16H,5-6,8-10H2,(H,17,19)
InChIKeyVRFJPGUFWAOWOF-UHFFFAOYSA-N
XLogP1.88
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 69426435
1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116970579
2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
CID 116971655
3-[[6-(1H-pyrrol-2-yl)pyridazin-3-yl]amino]propanenitrile
CID 116971941
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
6-phenyl-N-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 116971112
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883
2-N-(piperidin-4-ylmethyl)pyridine-2,5-diamine
CID 117044535
N-(piperidin-3-ylmethyl)-6-pyridin-2-ylpyridazin-3-amine
CID 116971115
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine (CID 116971123) is N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine is c1c[nH]c(-c2ccc(NCC3CCNCC3)nn2)c1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine?
The InChIKey is VRFJPGUFWAOWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-12(16-7-1)13-3-4-14(19-18-13)17-10-11-5-8-15-9-6-11/h1-4,7,11,15-16H,5-6,8-10H2,(H,17,19).
What are the key properties of N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine?
N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine has a molecular weight of 257.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-6-(1H-pyrrol-2-yl)pyridazin-3-amine is sourced from PubChem (CID 116971123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).