5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide

C10H19N5O — CID 12520108

IUPAC5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide
SMILESCCN(CC)CCn1cnc(C(N)=O)c1N
InChIInChI=1S/C10H19N5O/c1-3-14(4-2)5-6-15-7-13-8(9(15)11)10(12)16/h7H,3-6,11H2,1-2H3,(H2,12,16)
InChIKeyURDBVXQUNIGSSA-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.09
Rot. Bonds6

About 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide

5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide (PubChem CID 12520108) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide
PubChem CID12520108
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide
SMILESCCN(CC)CCn1cnc(C(N)=O)c1N
InChIInChI=1S/C10H19N5O/c1-3-14(4-2)5-6-15-7-13-8(9(15)11)10(12)16/h7H,3-6,11H2,1-2H3,(H2,12,16)
InChIKeyURDBVXQUNIGSSA-UHFFFAOYSA-N
XLogP-0.09
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Temozolomide
CID 5394
Dacarbazine
CID 135398738
5-Aminoimidazole-4-carboxamide
CID 9679
7-Methylguanine
CID 135398679
Isbufylline
CID 65681
Etamiphyllin
CID 28329
5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
CID 2942
9-Methylguanine
CID 135403591
7-(2-(Dimethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CID 10612
3-Methyl-7-propylpurine-2,6-dione
CID 3314397
1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CID 847168
5-Aminoimidazole-4-carboxamide hydrochloride
CID 66146

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide (CID 12520108) is 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide is CCN(CC)CCn1cnc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide?
The InChIKey is URDBVXQUNIGSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-14(4-2)5-6-15-7-13-8(9(15)11)10(12)16/h7H,3-6,11H2,1-2H3,(H2,12,16).
What are the key properties of 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide?
5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide has a molecular weight of 225.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(diethylamino)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 12520108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).