1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine

C12H16ClN3 — CID 83869314

IUPAC1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine
SMILESCNCc1cccc2c(Cl)nc(C(C)C)n12
InChIInChI=1S/C12H16ClN3/c1-8(2)12-15-11(13)10-6-4-5-9(7-14-3)16(10)12/h4-6,8,14H,7H2,1-3H3
InChIKeyCVROXZXDSQFUPN-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.83
Rot. Bonds3

About 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine

1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine (PubChem CID 83869314) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine
PubChem CID83869314
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine
SMILESCNCc1cccc2c(Cl)nc(C(C)C)n12
InChIInChI=1S/C12H16ClN3/c1-8(2)12-15-11(13)10-6-4-5-9(7-14-3)16(10)12/h4-6,8,14H,7H2,1-3H3
InChIKeyCVROXZXDSQFUPN-UHFFFAOYSA-N
XLogP2.83
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine (CID 83869314) is 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine is CNCc1cccc2c(Cl)nc(C(C)C)n12.
What is the InChIKey of 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine?
The InChIKey is CVROXZXDSQFUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-8(2)12-15-11(13)10-6-4-5-9(7-14-3)16(10)12/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine?
1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine has a molecular weight of 237.73 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3-propan-2-ylimidazo[1,5-a]pyridin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83869314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).