(3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine

C12H21N5 — CID 105496896

IUPAC(3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine
SMILESCn1cnc2c1C(C1CCCN1)NC(CN)C2
InChIInChI=1S/C12H21N5/c1-17-7-15-10-5-8(6-13)16-11(12(10)17)9-3-2-4-14-9/h7-9,11,14,16H,2-6,13H2,1H3
InChIKeyHFVJAXMPKFMAQA-UHFFFAOYSA-N
MW235.33 g/mol
LogP-0.31
Rot. Bonds2

About (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine

(3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine (PubChem CID 105496896) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine
PubChem CID105496896
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name(3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine
SMILESCn1cnc2c1C(C1CCCN1)NC(CN)C2
InChIInChI=1S/C12H21N5/c1-17-7-15-10-5-8(6-13)16-11(12(10)17)9-3-2-4-14-9/h7-9,11,14,16H,2-6,13H2,1H3
InChIKeyHFVJAXMPKFMAQA-UHFFFAOYSA-N
XLogP-0.31
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine?
The IUPAC name of (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine (CID 105496896) is (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine.
What is the SMILES notation for (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine?
The canonical SMILES for (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine is Cn1cnc2c1C(C1CCCN1)NC(CN)C2.
What is the InChIKey of (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine?
The InChIKey is HFVJAXMPKFMAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-17-7-15-10-5-8(6-13)16-11(12(10)17)9-3-2-4-14-9/h7-9,11,14,16H,2-6,13H2,1H3.
What are the key properties of (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine?
(3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine has a molecular weight of 235.33 g/mol, XLogP of -0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyrrolidin-2-yl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanamine is sourced from PubChem (CID 105496896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).